EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168244 - 7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]

ChEBI IDCHEBI:168244
ChEBI Name7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O12
Net Charge0
Average Mass520.572
Monoisotopic Mass520.25198
SMILESCC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3
InChIKeyVXZUZURNJDKPBW-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)
7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside] (CHEBI:168244) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
4-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0029771HMDB