RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135312
RefMet name	Lamioside
Systematic name	(1S,4aR,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,6,7-trihydroxy-7-methyl-cyclopenta[c]pyran-4-carboxylic acid methyl ester
Synonyms	PubChem Synonyms
Exact mass	420.163165 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C18H28O11	View other entries in RefMet with this formula
Molecular descriptors
Molfile	28070 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H28O11/c1-7-6-26-16(28-15-13(24)12(23)11(22)9(5-19)27-15)14-17(3,29-8(2)20)4-10(21)18(7,14)25/h6,9-16,19,21-25H,4-5H2, 1-3H3/t9-,10-,11-,12+,13-,14-,15+,16+,17+,18-/m1/s1
InChIKey	KPUSIQDGYABESP-CJHMEAONSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC1=CO[C@H]([C@@H]2[C@](C)(C[C@H]([C@]12O)O)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	C10 isoprenoids
Distribution of Lamioside in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Lamioside
External Links
Pubchem CID	443328
LIPID MAPS	LMPR0102070018
ChEBI ID	6365
KEGG ID	C11645
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)