Clustering data with hclust algorithm for (Study ST003848)

Reversed phase NEGATIVE ION MODE (Analysis AN006324)
MetaboliteStructureF1F2
6,7-Dihydroxycoumarin-7-O-(6^-acetyl)glucosideME10190013.060.12
7,8-Dihydro-Buddlenol B(threo)ME10189862.110.29
Buddlenol EME10185862.150.27
Furanofructosyl-α-D-(6-mustard acyl)glucoside*ME10188632.150.27
1-O-GlucopyranosylamplexineME10184512.050.33
Sibiricose A6ME10188652.040.34
Ferulic acid methyl esterME10185202.030.35
3,4-Dimethoxycinnamic acidME10184842.030.34
Glucosyl 9-hydroxy-3-methyldec-2-enoic acidME10185952.030.34
3-Prenyl-4-O-glucosyloxy-4-hydroxybenzoic acidME10187841.970.38
1-O-Sinapoyl-β-D-glucoseME10186871.980.38
6^-O-Sinapoylsucrose*ME10189101.980.38
5^-MethoxymatairesinosideME10190621.990.37
D-Sedoheptuiose 7-phosphateME10188962.000.36
Lyoniresinol-3α-O-glucosideME10187972.000.36
Buddlenol BME10189921.870.32
Erythro-Guaiacylglycerol-β-Sinapyl EtherME10187271.920.42
viburfordosides GME10189911.910.42
S-Ribosyl-L-homocysteineME10187581.910.42
Sideretin (5,7,8-Trihydroxy-6-methoxycoumarin)ME10190511.910.42
Icariside E5*ME10188981.910.42
2-Deoxyribose-1-phosphateME10189841.910.42
(2S)-Abyssinone II*ME10187371.910.42
Coniferyl alcoholME10188971.960.39
2R-hydroxy-9Z,12Z,15Z-octadecatrienoic acidME10185871.940.40
Uric acidME10189711.950.40
6,7-Dimethoxy-4-chromanoneME10186671.950.40
(E)-3-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal*ME10186711.950.40
4-Hydroxycoumarin di-glucosideME10190181.830.42
3,4-Dihydro-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-(3R,4S)-2-naphthalenecarboxaldehydeME10188771.880.44
4-Methoxyphenylpropionic acidME10190611.880.44
EthylparabenME10186631.860.45
RoseosideME10188411.860.45
Pinoresinol*ME10186981.870.45
Prunustomentosanan A*ME10186521.870.45
3,4,5-Trimethoxycinnamic acidME10186041.820.48
Glucosyloxybenzoic acidME10188721.830.47
5^-Methoxyisolariciresinol-9^-O-xylosideME10186391.840.47
Sinapic acidME10190331.840.47
Phenethyl caffeateME10187600.551.40
IsohemiphloinME10190380.641.23
L-TryptophanME10185090.611.25
[(8S,9R,10S,11R)-3,8,10-trihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl]acetateME10189620.521.34
Pinocembrin-7-O-neohesperidoside*ME10187900.501.32
PhloretinME10189570.541.29
Rhamnosyl-gentisic acid-5-O-β-D-glucosideME10186580.531.30
Methyl 2-furoateME10185980.561.28
2α,3α-Epoxy-5,7,3^,4^-tetrahydroxyflavan-(4β-8-catechin)*ME10190250.561.28
Homovanillic acid; 4-Hydroxy-3-methoxyphenylacetic acidME10185470.561.28
2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acidME10189510.571.27
2-Picolinic acidME10185290.581.27
Pinocembrin-7-O-rutinoside*ME10188450.581.27
Glucosyl 2,3-Dihydroxy-2-Methylbutanoic AcidME10186910.211.50
N-carboxy-N-(2-oxo-2-phenylethyl)-L-alanineME10186400.201.51
9-Hydroxyoctadeca-6,10,12,15-Tetraenoic AcidME10185160.411.38
(S)-Malic acid-1-O-beta-D-glucopyranosideME10187420.321.43
Chrysophanol-8-O-glucoside*ME10186961.170.86
Citric Acid diglucosideME10189601.170.89
2,3-Dihydroxy-12-ursen-28-oic acid*ME10185251.170.89
4-Hydroxy-2,5-dimethyl-3(2H)furanoneME10189701.170.89
Uridine 5^-monophosphateME10187691.180.89
Trehalose 6-phosphateME10189201.180.89
D-Fructose-1,6-biphosphateME10186461.180.89
Glucosyl 7-methyl-3-methyleneoctane-1,2,6,7-tetraolME10187261.180.89
Ferulic β-glucosideME10185791.210.87
Syringaldehyde-4-O-glucosideME10185561.210.87
Cryptochlorogenic acid (4-O-Caffeoylquinic acid)*ME10186431.200.88
SyringinME10188281.200.87
N-Acetyl-L-phenylalanineME10188341.200.87
Methyl 3-O-Methyl GallateME10189191.200.87
Grevilloside G*ME10187391.200.87
4-O-Glucosyl-3,4-dihydroxybenzyl alcoholME10188001.200.87
3^-FucosyllactoseME10187361.200.87
2,2-Dimethylsuccinic acidME10187951.200.87
2-Aminoethanesulfonic acidME10189801.200.87
Vanillic acid-4-O-glucosideME10190301.180.87
WoodorienME10186611.190.88
p-Hydroxypheny-β-D-allopyranosideME10188351.190.88
L-Glutamine-O-glycosideME10187081.190.88
Antiarol; 3,4,5-TrimethoxyphenolME10185691.190.88
D-Threo-guaiacylglycerol-7-O-β-D-glucosideME10185771.190.88
1-Oxo-Siaresinolic acid*ME10189721.140.88
XanthineME10186811.130.91
9S-Hydroxy-10E,12Z-octadecadienoic acid*ME10185941.120.92
4-O-galactopyranosylxyloseME10189881.120.92
2,3,19-trihydroxyurs-12-en-28-oic acid (Euscaphic acid)*ME10184831.120.92
1-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propan-2-yl (11Z,14Z)-octadeca-11,14-dienoateME10185841.120.92
13(S)-HODE;13(S)-Hydroxyoctadeca-9Z,11E-dienoic acid*ME10185371.120.92
Salicylic acid-2-O-glucosideME10184861.130.92
N-Acetyl-L-Aspartic AcidME10187031.130.92
D-Malic acid*ME10184811.130.92
Dihydroxyacetone phosphateME10185851.130.92
Cannabifolin F*ME10185741.130.92
alpha-Hydroxylinoleic acid*ME10185921.130.92
2-Decanol*ME10189001.130.92
1-O-Salicyloyl-β-D-glucose*ME10186341.130.92
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineME10188481.130.92
1-(4-Methoxyphenyl)-1-propanolME10184691.130.92
16,23:16,30-Diepoxydammar-24-ene-3,20-diol (Jujubogenin)*ME10185621.130.92
Raspberryketone glucosideME10187701.140.91
Pimelic acid*ME10189951.140.91
OxiglutationeME10190501.140.91
D-Threonic AcidME10184421.140.91
DL-Glyceraldehyde-3-phosphateME10187731.140.91
4-HydroxyacetophenoneME10189181.140.91
2-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propyl (11Z,14Z)-octadeca-11,14-dienoateME10184571.140.91
2-O-P-Coumaroylhydroxycitric AcidME10188071.140.91
Schizandriside*ME10190681.150.91
PantothenolME10185301.150.91
Isolariciresinol-9^-O-xyloside*ME10190671.150.91
3,19-Dihydroxyurs-12-en-28-oic acid (Pomolic acid)*ME10184391.150.91
Gingerglycolipid AME10188271.150.91
Tetracosanoic Acid (Lignoceric acid)ME10188951.150.90
Keto-Deoxy-Nonulonic acidME10187301.150.90
2,3-Diacetoxy-18-hydroxyoleana-5,12-dien-28-oic acidME10185481.150.90
3-O-Galloyl-D-glucose*ME10189341.150.90
Viburnol H*ME10186061.160.90
SolatrioseME10189051.160.90
LysoPC(18:3(9Z,12Z,15Z))ME10189091.160.90
Gingerglycolipid CME10186251.160.90
D-Saccharic acidME10184561.160.90
Dihydrocaffeoylglucose*ME10184631.160.90
D-Galactaric acidME10188261.160.90
2-Hydroxycinnamic acid*ME10189391.160.90
Darendoside AME10186861.160.90
Ricinoleic acidME10190131.040.98
Hexadecanedioic acidME10186731.040.98
D-MaltotetraoseME10188741.040.98
D-Maltose*ME10188671.040.98
1-(4-Hydroxybenzoyl)Glucose; 25545-07-7ME10185501.040.98
D-Lactose*ME10188681.040.98
Phenyl acetateME10187201.030.98
Malonic acidME10189351.030.98
IsodunnianinME10188431.030.98
EmbelinME10184431.030.98
DesoxyhemigossypolME10186851.030.98
Cetostearic acidME10185381.030.98
Azelaic acidME10184991.030.98
6-C-Glucosyl-2-HydroxynaringeninME10185321.030.98
4-Ethylbenzoic acid*ME10188841.030.98
3,4-Dimethylbenzoic acid*ME10188831.030.98
2α,3α-Epoxy-5,7,3^,4^-tetrahydroxyflavan-(4β-8-epicatechin)ME10190591.030.98
2-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propan-2-yl (Z)-14-Octadecenoic AcidME10189081.030.98
2,6-Dimethyl-7-octene-2,3,6-triolME10185411.030.98
Tridecanedioic acidME10184441.050.97
Esculetin (6,7-Dihydroxycoumarin)ME10184701.050.97
Eriodictyol-8-C-glucoside*ME10189241.050.97
D-Arabinose*ME10189541.050.97
cis-AbienolME10187681.050.97
4-Hydroxy-L-glutamic acidME10187591.050.97
1,5-Anhydro-D-glucitolME10184281.050.97
3-Cyano-L-alanineME10188991.050.97
D-Glucurono-6,3-lactoneME10189821.040.97
Cinchonain 1a*ME10184491.040.97
3-Hydroxy-5-Methylphenol-1-O-GlucosideME10187781.040.97
9-Hydroperoxy-10E,12,15Z-octadecatrienoic acidME10184611.040.97
Methylophiopogonanone AME10186091.011.00
Cinnamtannin B2ME10187051.011.00
Aromadendrin-7-O-glucoside*ME10188381.011.00
1-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propan-2-yl (Z)-14-Octadecenoic AcidME10184891.011.00
2,3-DihydroxypropanalME10188321.011.00
StachyoseME10187881.001.00
NystoseME10190281.001.00
N-PropionylglycineME10190411.001.00
Niga-Ichigoside F1; Nigaichigoside F1ME10187331.001.00
L-Aspartic Acid*ME10184641.001.00
IdesinME10188221.001.00
DL-Glyceric AcidME10186171.001.00
3-Hydroxybutyric acidME10187351.001.00
1-O-Caffeoyl-β-D-glucose*ME10185001.001.00
3-Aminosalicylic acidME10189521.001.00
Undecanedioic acidME10187451.020.98
Cis-4,7,10,13,16,19-Docosahexaenoic AcidME10189371.020.98
5-L-Glutamyl-L-amino acidME10187281.020.98
Cinchonain Ic*ME10187891.020.98
Quinacyl syringic acidME10187621.010.99
LaminaranME10189031.010.99
E,E,Z-1,3,12-Nonadecatriene-5,14-diolME10184371.010.99
1,14-Tetradecanedioic AcidME10187651.010.99
13-methylmyristic acidME10187561.010.99
PyrocatecholME10187711.020.99
Procyanidin C2ME10186191.020.99
Phenylpyruvic acidME10185611.020.99
Oxalic acidME10185541.020.99
ManninotrioseME10189171.020.99
MaltitolME10186451.020.99
Malic acid-1-O-diglucosideME10187991.020.99
Isomaltulose*ME10189681.020.99
DaphnetinME10186891.020.99
Cyclohexane-1,3-dioneME10186211.020.99
8,15-Dihydroxy-5,9,11,13-eicosatetraenoic acidME10188891.020.99
6-O-Galloyl-β-D-glucose*ME10186371.020.99
4-Hydroxybenzoyltartaric acidME10186311.020.99
12,13-DHOME; (9Z)-12,13-Dihydroxyoctadec-9-enoic acidME10187171.020.99
3-Ureidopropionic AcidME10185461.020.99
MelibioseME10185191.070.95
Danthron; 1,8-DihydroxyanthraquinoneME10185351.070.95
7S,8S-DiHODE; (9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid*ME10188391.070.95
13(s)-hydroperoxy-(9z,11e,15z)-octadecatrienoic acidME10186441.070.95
5-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-2,3,4-triolME10190241.070.95
Ser-SerME10188881.080.95
Phe-Abu-OHME10189981.080.95
Palmitic acidME10187791.080.95
Methyl 2,4-dihydroxyphenylacetate*ME10188141.080.95
Isolariciresinol-9^-O-glucoside*ME10187911.080.95
D-SorbitolME10184541.080.95
D-PanoseME10190261.080.95
DMelezitose O-rhamnosideME10188181.080.95
D-ArabitolME10188901.080.95
4-Hydroxyphenyllactic Acid*ME10186141.080.95
3-Dehydro-L-Threonic Acid*ME10184661.080.95
3,9-Dihydroxy-13(14)-labden-16,15-olide*ME10188121.080.95
2-Oxoadipic acidME10189421.080.95
1-O-(3,4-Dihydroxy-5-methoxy-benzoyl)-glucosideME10190701.080.95
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid*ME10188111.080.95
1-EicosanolME10188051.080.95
NordihydrocapsiateME10185131.060.96
L-FucoseME10185511.060.96
GastrodinME10188401.060.96
Erythro-Guaiacylglycerol-β-threo-syringylglycerol EtherME10190541.060.96
Erythorbic Acid; Isoascorbic AcidME10184531.060.96
D-Xylonic acidME10186031.060.96
D-Sucrose*ME10187411.060.96
Dihydrodehydrodiconiferyl alcohol-4-O-glucoside*ME10188291.060.96
D-CellobioseME10189941.060.96
6-HydroxyphomodiolME10187481.060.96
2,6-dimethoxy-hydroquinone-4-O-β-D-glucopyranosideME10190231.060.96
1-Hydroxypinoresinol-1-O-GlucosideME10190691.060.96
2,3-Dihydroxybenzoic Acid*ME10186771.060.96
N-(1-Deoxy-1-fructosyl)TryptophanME10185401.070.96
Gallocatechin 3-O-gallateME10189741.070.96
3-(4-Hydroxyphenyl)-propionic acid*ME10185831.070.96
D-Glucono-1,5-lactoneME10188421.070.96
Xanthurenic Acid 8-O-GlucosideME10187441.110.93
SedoheptuloseME10185681.110.93
(S)-2-Hydroxy-3-(4-Hydroxyphenyl)Propanoic Acid*ME10184961.110.93
RutinoseME10188061.110.93
PalmitaldehydeME10184411.110.93
Gluconic acidME10185311.110.93
Dulcitol*ME10184501.110.93
D-Mannitol*ME10184291.110.93
Arachidic acidME10188021.110.93
3-Hydroxypropanoic acidME10186361.110.93
2-Propylsuccinic acid*ME10190641.110.93
2-O-Galloyl-D-glucoseME10186281.110.93
2-Naphthol*ME10188851.110.93
2,19-Dihydroxy-3-oxours-12-en-28-oic acidME10184711.110.93
1-Linoleoyl-2-Lysophosphatidic Acid Monobutylamine EsterME10185781.110.93
1-(sn-Glycero-3-phospho)-1D-myo-inositolME10186661.110.93
2,3,19-Trihydroxyurs-12-en-28-oic acid (Tormentic acid)*ME10185701.120.93
4-O-Glucosyl-4-hydroxybenzoic acid*ME10185391.120.93
VanillolosideME10188541.090.94
N-Acetyl-D-glucosamine-1-phosphateME10187471.090.94
GalactinolME10189611.090.94
Ferulic acid-4-O-glucosideME10188101.090.94
D-Trehalose*ME10187491.090.94
Dehydroascorbic acidME10189431.090.94
Chlorogenic acid (3-O-Caffeoylquinic acid)*ME10185171.090.94
(2E)-3-[4-(β-D-glucopyranoside)-phenylacrylic]-acidME10188861.090.94
13-Hydroperoxy-9Z,11E-octadecadienoic acid*ME10188661.090.94
1-Naphthol*ME10185491.090.94
ConiferinME10189281.100.94
Anthranilate-1-O-SophorosideME10185891.100.94
2,4-Dihydroxybenzoic acidME10186951.100.94
AllitolME10184671.100.94
Uridine 5^-diphospho-D-glucoseME10184591.100.93
Docosanoic acid (Behenic acid)ME10189671.100.93
D-Arabinono-1,4-lactone*ME10184521.100.93
5-O-Galloyl-D-hamamelose*ME10187291.100.93
ChoerospondinME10186321.100.93
3-Hydroxyphloretin-4^-O-glucosideME10187801.080.92
Citraconic acidME10190441.100.91
DihydromareinME10190361.100.90
Tetrahydroxyflavan-(4α-8-epicatechin)*ME10188700.691.20
AucubinME10186760.691.19
Phloretin-4^-O-glucoside (Trilobatin)*ME10187720.701.19
Orotic acid (Vitamin B13)ME10185430.751.16
Glucosyl 6-methylhept-6-ene-1,2,3,4,5-pentaolME10190100.751.16
2-Methyl-3-oxoadipic acid*ME10187250.751.16
Eriodictyol-7-O-Rutinoside (Eriocitrin)ME10190020.751.16
Cinnamtannin D1ME10186750.741.16
Kaempferol-7-O-glucoside*ME10187530.741.16
Dihydrocharcone-4^-O-glucoside*ME10185100.731.17
5-O-p-Coumaroylquinic acid O-glucosideME10186220.741.17
Cinnamtannin B1*ME10187180.741.17
2-Phenylethyl beta-primeverosideME10187020.711.16
Oxyallobetulin*ME10189810.721.18
6-Hydroxy-2^-methoxyflavoneME10189300.761.09
DehydrovomifoliolME10188600.791.15
Coumaroyl Quinic Acid*ME10184740.781.14
3-O-p-Coumaroylquinic acid*ME10184730.781.14
3-(Hydroxycinnamoyl)-quinic acid*ME10185970.781.14
1-O-p-Coumaroylquinic acid*ME10185960.781.14
2,3,23-Trihydroxyolean-12-ene-28,29-dioic acid 29-methyl ester (Phytolaccagenin)ME10184940.781.14
Caffeoyl-O-mannitolME10190030.771.14
N-α-Acetyl-L-ornithineME10188170.771.14
Glucosyl 2-Hydroxy-4-Methylpentanoic AcidME10187760.761.15
Phloretin-2^-O-glucoside (Phlorizin)ME10185580.771.15
N-acetyl-tryptophanME10189640.771.15
4-O-p-Coumaroylquinic acidME10185070.771.15
Epicatechin-(4β→8,2β→O→7)-epicatechin-(4β→8)-epicatechin*ME10186830.771.15
L-Citramalic acidME10185120.821.12
Vnilloylcaffeoyltartaric acidME10189780.811.12
Propyl 4-hydroxybenzoateME10187110.811.12
Citric AcidME10184650.811.12
L-Xylose*ME10186260.811.12
UracilME10186270.801.13
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidME10185750.801.13
AllantoinME10190200.801.13
5-O-p-Coumaroylquinic acidME10186620.791.13
Pyrafortunoside BME10189580.791.13
Undecylic AcidME10187520.981.02
Procyanidin A2*ME10190580.981.02
Eicosadienoic acidME10190470.981.02
2,3-Dihydroxyurs-12-en-28-oic acid (Corosolic acid)*ME10186100.981.02
Cordianal C*ME10186110.981.02
Procyanidin A1*ME10190070.971.02
Morin-3-O-lyxoside*ME10189120.971.02
Morin-3-O-arabinoside*ME10189110.971.02
D-Glucose*ME10187230.971.02
D-Fructose*ME10187220.971.02
4-caffeoylshikimic acidME10185420.971.02
6-O-CaffeoylarbutinME10186150.971.02
α-Hydroxycinnamic Acid*ME10190150.991.00
D-Glucosamine 1-phosphateME10189400.991.00
2-Propylglutaric acidME10186480.991.00
3-Hydroxycinnamic Acid*ME10190140.991.00
Quercetin-3-O-glucoside (Isoquercitrin)ME10187660.991.01
Phenylpropionic acid-O-β-D-glucopyranosideME10188580.991.01
N-Alpha-Acetyl-L-AsparagineME10189690.991.01
N-Acetyl-L-threonineME10185050.991.01
Isoascorbic acid 2-O-glucosideME10186470.991.01
Adenosine 2^-PhosphateME10187340.991.01
4-O-β-D-glucopyranosylferulic acid*ME10187930.991.01
2,3-Dihydroxyurs-12-en-29-oic acid (Maslinic acid)*ME10184460.991.01
12-Hydroxydodecanoic acidME10189260.991.01
1-Decanol*ME10187000.991.01
Viburnenone B1 methyl esterME10188510.981.01
Uridine-5^-Diphosphate-D-XyloseME10185640.981.01
Suberic AcidME10186590.981.01
Procyanidin C1ME10188590.981.01
NADP (Nicotinamide adenine dinucleotide phosphate)ME10190190.981.01
Mevalonic acidME10185270.981.01
Inositol*ME10187160.981.01
Hesperetin-5-O-glucosideME10187960.981.01
ErythroseME10190160.981.01
Eicosenoic acidME10187130.981.01
Dodecanoic acid (Lauric acid)ME10186120.981.01
6-O-Caffeoyl-D-glucose*ME10186010.981.01
5-O-Caffeoylshikimic acidME10186780.981.01
4-HydroxybenzaldehydeME10190600.981.01
3-Hydroxyoctadecanoic AcidME10184600.981.01
3-Dehydroshikimic acidME10185630.981.01
1-O-Feruloyl-β-D-glucose*ME10187430.981.01
2-O-α-D-Glucopyranosyl-L-ascorbic acidME10189330.981.01
Quercetin-4^-O-glucoside (Spiraeoside)ME10188710.961.02
Procyanidin B4ME10188010.961.02
L-AlanineME10190060.961.02
Iminodiacetic acid*ME10184900.961.02
(E)-caffeyl alcohol 4-O-β-D-glucopyranosideME10184550.961.02
Cistanoside FME10189630.961.02
2-Furoic acidME10189550.961.02
2-Methylglutaric acidME10184620.961.02
Uridine-diphosphate-n-acetylgalactosamine*ME10186080.951.03
N-MethylglycineME10188620.951.03
Naringenin-4^-O-glucoside*ME10189150.951.03
FustinME10187380.951.03
Dunalianoside C*ME10188760.951.03
D-MelezitoseME10189830.951.03
D-Mannose*ME10185550.951.03
Cyclic 3^,5^-Adenylic acidME10185440.951.03
CreatineME10186740.951.03
Cis-10-Pentadecenoic Acid(C15:1)ME10186070.951.03
2,6-Di-tert-butylphenol*ME10186290.951.03
2,3-Dihydroxyolean-12-en-28-oic acid (2-Hydroxyoleanolic acid)*ME10184330.951.03
1,6-anhydro-β-D-glucoseME10187670.951.03
1-O-Eudesmoylquinic acidME10188730.951.03
2,4-DinitrophenolME10185210.961.03
Cryptamygin BME10189230.961.03
Caffeic acidME10184950.911.05
Urocanic acidME10185820.921.05
Tyrosol; 4-HydroxyphenylethanolME10190050.921.05
Shikimic acidME10185360.921.05
N-Acetyl-L-GlutamineME10185710.921.05
Grevilloside FME10187940.921.05
ConfertifolineME10185810.921.05
Benzyl-(2^^-O-xylosyl)glucoside*ME10189130.921.05
4-(3,4,5-Trihydroxybenzoxy)benzoic acidME10189960.921.05
3-Hydroxylup-20(29)-en-28-oic acid (Betulinic acid)*ME10185730.921.05
3-Guanidinopropionic acidME10185180.921.05
1,8-dihydroxy-4,5-dimethoxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one*ME10190520.921.05
3,24-Dihydroxyolean-12-en-22-one (Soyasapogenol E)*ME10185650.921.05
β-Hydroxyisovaleric acidME10187120.941.04
Uridine 5^-diphospho-N-acetylglucosamine*ME10185220.941.04
Succinic semialdehydeME10185660.941.04
Phellodenol HME10188080.941.04
Pentadecanoic AcidME10184470.941.04
Isocitric AcidME10187770.941.04
D-Galacturonic acid*ME10186130.941.04
D-ErythronolactoneME10185150.941.04
CatechinME10190170.941.04
2-Hydroxyursolic acid*ME10185110.941.04
1-OctadecanolME10184760.941.04
2,4-Di-Tert-Butylphenol*ME10189590.941.04
γ-TocotrienolME10187060.931.04
Pyrafortunoside AME10189210.931.04
L-FucitolME10184820.931.04
KobusoneME10187210.931.04
D-Glucoronic acid*ME10184930.931.04
2-Acetyl-2-Hydroxybutanoic AcidME10188030.931.04
Chrysoeriol-7-O-glucosideME10188570.931.04
Epicatechin-epiafzelechinME10190710.941.05
3-Hydroxy-3-Methyl-2-Oxopentanoic AcidME10187140.931.05
3-Methylmalic acid*ME10185230.931.05
Benzyl B-Primeveroside*ME10185800.831.10
Protocatechuic acid 1-O-(Glucosylvanilloyl)*ME10189870.831.11
Itaconic acidME10188560.831.11
Citric acid-1-O-diglucosideME10189460.831.11
Carthamone*ME10190550.831.11
2-Glucosyloxy-2-phenylacetic acid amideME10184770.831.11
2-Oxoheptanedionic acid*ME10186900.831.11
Salicylic acidME10186640.861.09
2-Dehydro-3-deoxy-L-arabinonate*ME10185880.861.09
1,8-dihydroxy-2,6-dimethoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-oneME10189990.861.09
2(3H)-BenzothiazoloneME10188090.861.09
Dunalianoside A*ME10184980.851.09
DL-3-Phenyllactic acid*ME10190660.851.09
2,6-Dimethoxybenzaldehyde*ME10190650.851.09
Dihydrokaempferol-7-O-glucoside*ME10188440.851.09
Muconic acidME10189650.851.10
Caffeoylbenzoyltartaric acidME10190340.851.10
5-Acetamidopentanoic AcidME10184480.851.10
2-Hydroxy-2-methyl-3-oxobutanoic acid*ME10186240.851.10
3-Hydroxyglutaric acid*ME10186720.851.10
vitelignin AME10189790.841.10
Naringenin-7-O-Rutinoside(Narirutin)*ME10190390.841.10
Naringenin-7-O-Neohesperidoside(Naringin)*ME10190400.841.10
Hamiltone AME10184800.841.10
5^-Glucosyloxyjasmanic acidME10187010.841.10
5-Glucosyloxy-2-Hydroxybenzoic acid methyl esterME10184790.841.10
3-(Beta-D-Glucopyranosyloxy)-5-Hydroxyhexanoic Acid Methyl EsterME10188800.841.10
3-O-p-Coumaroylshikimic acidME10190560.841.10
Ferulic acidME10185930.881.06
DambonitolME10185720.881.07
4-Hydroxy-2-Oxopentanoic Acid*ME10184360.881.07
Catechin-catechin-catechinME10186550.881.07
Isocitric acid-1-O-diglucosideME10185280.871.09
Vanillic acidME10190530.881.08
Glu-MetME10185530.881.08
Eriodictyol-3^-O-glucoside*ME10188610.881.08
9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-oneME10190350.881.08
6-(((S)-1-carboxyethyl)amino)-4-hydroxyhexanoicacidME10188810.881.08
6-O-alpha-L-arabinopyranosyl-D-glucopyranoseME10189490.881.08
1-O-rhamnose-3-O-glucoside-Caffeoyl Quinic AcidME10190430.881.08
6-O-AcetylarbutinME10189070.881.08
Syringic acid 4-O-rhamnosideME10186420.871.08
Sucrose-6-phosphateME10187040.871.08
Quinic AcidME10184880.871.08
Quercetin-7-O-glucosideME10190000.871.08
Naringenin-7-O-glucoside (Prunin)*ME10187830.871.08
L-Tartaric acidME10185040.871.08
Kaempferol-3-O-galactoside (Trifolin)*ME10187460.871.08
Fumaric acidME10186690.871.08
1-O-Vanilloyl-D-GlucoseME10186570.871.08
3-Hydroxy-4-isopropylbenzylalcohol-3-O-glucosideME10186820.871.08
Uridine 5^-diphosphateME10188330.911.06
Methanesulfonic acidME10187400.911.06
Butin-7-O-glucoside*ME10187240.911.06
2-β-D-Glucopyranosyloxy-5-hydroxyphenylacetic acidmethylester*ME10187920.911.06
24,30-Dihydroxy-12(13)-ene-lupeol*ME10186330.911.06
2-(Formylamino)benzoic acidME10187070.911.06
Procyanidin B3ME10186160.901.06
Procyanidin B1ME10185600.901.06
EucommiolME10189140.901.06
Epitheaflavic acid-3-O-GallateME10189320.901.06
2,5-dihydroxy-1,6-dimethoxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-oneME10189730.901.06
2-Hydroxyglutaric Acid*ME10184580.901.06
Monomethyl succinate*ME10184320.901.07
Epicatechin glucosideME10186350.901.07
2-Methylsuccinic acid*ME10184310.901.07
Dimethylmalonic acid*ME10184300.901.07
Quercetin-3-O-rutinoside (Rutin)ME10189760.891.07
D-Galactose*ME10186560.891.07
5-Hydroxyindole-3-acetic acidME10186930.891.07
Catechin-(7,8-bc)-4β-(3,4-dihydroxyphenyl)-dihydro-2-(3H)-oneME10186180.891.07
4-O-(6^-O-Glucosylcaffeoylglucosyl)-4-hydroxybenzyl alcohol*ME10190121.370.76
Vanillyl alcoholME10190111.380.76
Oxalacetic acidME10187741.380.76
9,10,13-Trihydroxy-11-Octadecenoic AcidME10188921.380.76
Butanone acidME10188201.380.76
Tachioside*ME10188461.400.75
Nortrachelogenin-4-O-glucosideME10190291.390.75
Dihydroferulic acid glucosideME10185331.390.75
5-Oxo-L-ProlineME10188551.390.75
2,3,19,23-Tetrahydroxyurs-12-en-28-oic acidME10187321.390.75
2,5-DihydroxybenzaldehydeME10186501.390.75
Linoleic acid*ME10184911.360.77
(9Z,11E)-Octadecadienoic acid*ME10184921.360.77
3,4-Dihydroxybenzoic acid (Protocatechuic acid)*ME10186381.360.77
1-O-Caffeoyl-3-O-galloyl-β-D-glucoseME10189291.360.77
3,4-Dihydroxybenzeneacetic acid*ME10188871.360.77
3,4-dihydroxyphenylethanol-β-D-glucopyranosideME10189891.340.79
γ-Linolenic Acid*ME10187811.330.79
Isotachioside*ME10187091.330.79
isatioxyneolignoside AME10189441.330.79
Crepenynic acid*ME10187821.330.79
Cornusoside AME10186921.330.79
2-(3,4-dihydroxyphenyl)ethanediol 1-O-β-D-glucopyranoside*ME10186511.330.79
3-Methylbutyl 6-O-(alpha-L-arabinopyranosyl)-beta-D-glucopyranosideME10189481.330.79
Kaempferol-3-O-rhamnoside (Afzelin)(Kaempferin)ME10189501.350.78
2-Hydroxyphenol-1-O-glucosyl(6→1)rhamnosideME10188191.350.78
D-Fructose 6-Phosphate*ME10186991.350.78
Vomifoliol 9-[Xylosyl-(1->6)-Glucoside]ME10189271.340.78
4β-hydroxypaulowninME10187641.340.78
ArbutinME10185761.340.78
Protocatechuic acid-4-O-glucoside*ME10190321.310.80
N-(1-Deoxy-1-fructosyl)AsparagineME10186541.310.80
Koaburaside*ME10184751.310.80
3-Phospho-D-glyceric acidME10185591.310.80
1-O-Gentisoyl-β-D-glucoside*ME10190311.310.80
2,6-Dimethoxy-4-hydroxyphenol-1-O-ß-D-glucopyranosideME10188941.310.80
AndrosinME10187501.320.80
Glucosyringic acidME10187861.320.80
Cordianol B*ME10184341.300.81
Homogentisic acid*ME10188791.300.81
Petroselinic acid*ME10184721.280.82
HydroxytyrosolME10188491.280.82
11-Octadecanoic acid(Vaccenic acid)*ME10184871.280.82
Daphnin*ME10186051.280.82
XanthosineME10187101.290.81
2,3,6-Trihydroxyurs-12-en-28-oic acid (Madasiatic acid)*ME10184271.290.81
Elaidic Acid*ME10184381.290.81
Sorbitol-6-phosphateME10186201.290.82
Ethyl (4E,6E,8E,10E,13Z)-15,16-dihydroxy-5,9-dimethyloctadeca-4,6,8,10,13-pentaenoateME10188311.290.82
Cichoriin*ME10188241.290.82
D-Glucose 6-phosphate*ME10185991.290.82
Sodium ferulateME10189561.260.83
D-Pinitol*ME10185031.260.83
Cannabifolin C*ME10186021.260.83
3-Hydroxy-3-methylpentane-1,5-dioic acidME10190491.260.83
8-Epiloganic acidME10187191.260.83
Esculetin-7-O-glucoside*ME10186881.270.83
Methylsalicylate-2-O-glucoside*ME10189851.270.83
Sanleng acid*ME10187541.220.86
2-Hydroxy-4-methyl-3-undecanoyloxypentanoic acid methyl ester*ME10187551.220.86
N-Acetyl-L-glycineME10187511.220.86
2,3-Dihydroxy-19-oxo-18,19-secours-11,13(18)-dien-28-oic acid (Swinhoeic acid)*ME10188821.230.87
p-Coumaric acid-4-O-glucoside*ME10190091.230.86
1-O-p-Coumaroyl-β-D-glucose*ME10190081.230.86
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl2-hydroxy-5-methylbenzoate*ME10189771.230.86
Leonuriside AME10189221.240.85
Glucosyl 3,7-dimethyloct-2-ene-1,6,7-triolME10188751.240.85
Chlorogenic acid methyl esterME10185671.240.85
Benzoyl-Beta-D-GlucosideME10189931.240.85
1-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propan-2-yl (8E,11Z,14Z)-octadeca-8,11,14-trienoateME10186491.240.85
9-Hydroxy-12-oxo-10(E),15(Z)-octadecadienoic acidME10187751.240.85
2-Hydroxy-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoic AcidME10186651.230.85
1-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propan-2-yl palmitateME10188371.230.85
2-(2,3-dihydroxypropoxy)-3-(((2-(dimethylamino)ethoxy)(hydroxy)phosphoryl)oxy)propyl (8E,11Z,14Z)-octadeca-8,11,14-trienoateME10184451.230.85
Gingerglycolipid BME10189041.240.84
Mucic acid Dimethyl EsterME10185061.250.84
(2r,3s,4s,5r)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol*ME10185521.250.84
Allysine(6-Oxo DL-Norleucine)ME10184681.250.84
Syringaldehyde; 4-Hydroxy-3,5-DimethoxybenzaldehydeME10190451.650.59
Lariciresinol-4^-O-glucoside*ME10189251.650.58
2-Propylmalic Acid*ME10185451.660.58
Manglieside DME10186001.660.58
Glucosyl 10,11-dihydroxy-2,6-farneSadienoateME10186971.700.55
Hedyotisol A*ME10189971.700.56
Vanillin; 4-Hydroxy-3-Methoxybenzaldehyde*ME10187631.670.57
Methyl 4-hydroxybenzoate*ME10190271.690.56
Methyl sinapateME10185911.690.56
3-Isopropylmalic Acid*ME10185341.680.57
3^-Adenylic AcidME10190481.680.56
DihydropenstemideME10188911.680.56
Ficusesquilignan BME10188211.640.50
Glomeratose AME10190421.650.54
Hydroxypentadecenoic acid glucosideME10187851.780.50
Glutathione reduced formME10186531.790.50
Rosmarinic acid-3^-O-glucosideME10189381.790.50
Abscisic acidME10184781.750.52
Eucommin AME10190221.750.52
SalidrosideME10186601.720.54
3-O-p-Coumaroylquinic acid-O-glucosideME10188471.720.54
N-Acetyl-L-glutamic acidME10188131.720.54
4-O-Glucosyl-sinapateME10188231.730.53
Glucaric acid-1-PhosphateME10187611.740.53
3^-O-Beta-D-Glucopyranosyl plumbagic acidME10188041.500.50
Syringic acidME10190461.650.64
Epipinoresinol*ME10189661.520.60
Nudiposide*ME10188781.530.66
α-Ketoglutaric acidME10184401.540.66
UridineME10190211.550.65
2-(3-β-D-glucopyranosyloxy-4-hydroxyphenyl)ethanol-1-O-β-D-glucopyranosideME10189011.550.65
D-Alanyl-D-AlanineME10190041.550.65
Doitungbiphenyl AME10186841.570.64
4-O-(3^-O-alpha-D-Glucopyranosyl)caffeoylquinic acidME10187871.560.64
Ribulose-5-phosphateME10190371.560.64
Methylmalonic acid*ME10188531.610.61
mudanpioside E*ME10186791.590.63
Succinic acid*ME10186301.580.63
Mearnsetin-3-O-glucosideME10190571.580.63
5-(2-Hydroxyethyl)-2-O-glucosylphenol*ME10185021.580.63
6^-O-β-D-glucosylbarlerin*ME10187571.580.63
5^-Methoxyisolariciresinol-9^-O-glucosideME10190631.600.62
Hedyotisol B*ME10189751.600.62
Vanillic acid methyl esterME10185571.590.62
Cimidahurinine*ME10188501.590.62
Guaiacylglycerol 8-O-(1^^-O-Glucosyl)Vanillic Acid Ether*ME10185261.590.62
syringaresinol-4-O-β-D-glucopyranosideME10189531.460.75
10-O-[(E)-Caffeoyl]-geniposidic acidME10188301.410.70
L-threo-3-MethylaspartateME10184971.440.72
3-O-Feruloylquinic acid-O-glucoside*ME10189161.440.72
D-Glucose 1,6-bisphosphateME10189311.440.72
6-O-p-Coumaroyl-β-D-glucoseME10186701.430.72
Tianshic acidME10186681.430.72
Methyl SyringateME10189361.420.73
Glucosyl 2,6-dimethyl-8-oxoocta-2,6-dienoic acidME10185901.420.73
2,3,23-Trihydroxyurs-12-en-28-oic acid (Asiatic acid)ME10185011.420.73
Buddlenol F glucosideME10188641.420.73
Disinapoyl glucosideME10187311.410.74
Magnoloside E*ME10189901.400.74
Chrysophanol-1-O-β-D-glucoside*ME10186941.540.73
Lyoniresinol-9^-O-xyloside (Lyoniside)*ME10188161.520.67
L-Glutamic acid-O-glycosideME10188361.520.67
17-Hydroxylinolenic acidME10188251.520.67
6^-O-α-D-galactosylbarlerin*ME10188691.520.67
Syringaresinol-4^-O-(6^^-acetyl)glucosideME10188151.510.67
N-(1-Deoxy-1-fructosyl)Glutamic acidME10187981.510.67
4-O-(4^-O-alpha-D-Glucopyranosyl)caffeoylquinic acidME10184851.510.67
6-O-Feruloyl-β-D-glucoseME10185081.510.67
5,7,2^-Trihydroxy-8-methoxyflavoneME10188521.510.68
Moniliferanone DME10187151.510.68
5-O-Feruloyl quinic acid glucoside*ME10189021.500.68
Kaempferol-7-O-rhamnosideME10184351.500.68
PhosphoenolpyruvateME10189061.480.70
4-Hydroxybenzoic acidME10186411.490.69
4-[3-(4,8-dimethylnona-3,7-dienyl)-3-methyloxiran-2-yl]butan-2-one*ME10185241.480.69
α-Linolenic Acid*ME10185141.480.69
D-Glucose-1-phosphate*ME10189411.460.70
1,3-O-Dicaffeoylquinic Acid (Cynarin)ME10186801.470.70
Adenosine 5^-diphosphateME10189451.470.70
Aminomalonic acidME10186231.460.71
D-Erythrose-4-phosphateME10189471.450.71
D-RiboseME10188931.450.71

Factors:

F1Treatment:orange-flesh
F2Treatment:white-flesh
Data matrix
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