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CHEBI:176068 - 25-Cinnamoyl-vulgaroside

ChEBI IDCHEBI:176068
ChEBI Name25-Cinnamoyl-vulgaroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H46O7
Net Charge0
Average Mass566.735
Monoisotopic Mass566.32435
SMILESCC1(C)CCCC2(C)C1CCC1(C)C(CC(O)C3=CC(=O)OC3OC(=O)/C=C/c3ccccc3)C(O)(CO)CCC21
InChIInChI=1S/C34H46O7/c1-31(2)15-8-16-32(3)25(31)13-17-33(4)26(32)14-18-34(39,21-35)27(33)20-24(36)23-19-29(38)41-30(23)40-28(37)12-11-22-9-6-5-7-10-22/h5-7,9-12,19,24-27,30,35-36,39H,8,13-18,20-21H2,1-4H3/b12-11+
InChIKeySXPHINZZVYORPV-VAWYXSNFSA-N
ChEBI Ontology
Outgoing Relation(s)
25-Cinnamoyl-vulgaroside (CHEBI:176068) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[3-[1-hydroxy-2-[2-hydroxy-2-(hydroxymethyl)-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethyl]-5-oxo-2H-uran-2-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
35015161ChemSpider
HMDB0041367HMDB