RefMet Compound Details

Created with Raphaƫl 2.1.0OHOHOHOHOOOOOHOHOHHH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0126124
RefMet nameSarmentoloside
Systematic nameSarmentologenin 3-O-(6-deoxy-alpha-L-taloside)
SynonymsPubChem Synonyms
Exact mass568.288362 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC29H44O11View other entries in RefMet with this formula
Molecular descriptors
Molfile68980 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)2
6(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1
InChIKeyBUGNRCRUPAIYMD-VBVNMADNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]1CC[C@]2(CO)[C@@H]3[C@@H](CC[C@@]2(C1)O)[C@]1(CC[C@H](C2=CC(=O)OC2)[C@@]1(C)C[C@H]3O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSterol Lipids
Main ClassSterols
Sub ClassCardanolides
Distribution of Sarmentoloside in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Sarmentoloside
External Links
Pubchem CID441869
ChEBI ID9032
KEGG IDC08878
EPA CompToxDTXCID00964158
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo