EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169802 - 25-Acetylvulgaroside

ChEBI IDCHEBI:169802
ChEBI Name25-Acetylvulgaroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O7
Net Charge0
Average Mass478.626
Monoisotopic Mass478.29305
SMILESCC(=O)OC1OC(=O)C=C1C(O)CC1C(O)(CO)CCC2C3(C)CCCC(C)(C)C3CCC12C
InChIInChI=1S/C27H42O7/c1-16(29)33-23-17(13-22(31)34-23)18(30)14-21-26(5)11-7-19-24(2,3)9-6-10-25(19,4)20(26)8-12-27(21,32)15-28/h13,18-21,23,28,30,32H,6-12,14-15H2,1-5H3
InChIKeyQNZZHRCSGTYEAW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
25-Acetylvulgaroside (CHEBI:169802) 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] acetate
Manual XrefsDatabases
35015159ChemSpider
HMDB0041365HMDB