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CHEBI:172772 - 24-Acetyl- 25-cinnamoylvulgaroside

ChEBI IDCHEBI:172772
ChEBI Name24-Acetyl- 25-cinnamoylvulgaroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48O8
Net Charge0
Average Mass608.772
Monoisotopic Mass608.33492
SMILESCC(=O)OCC1(O)CCC2C3(C)CCCC(C)(C)C3CCC2(C)C1CC(O)C1=CC(=O)OC1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+
InChIKeyIMXZIJOCFAKDPZ-OUKQBFOZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
24-Acetyl- 25-cinnamoylvulgaroside (CHEBI:172772) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[3-[2-[2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-hydroxyethyl]-5-oxo-2H-uran-2-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
35015162ChemSpider
HMDB0041368HMDB