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CHEBI:168188 - Vomifoliol 9-[xylosyl-(1->6)-glucoside]

ChEBI IDCHEBI:168188
ChEBI NameVomifoliol 9-[xylosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O12
Net Charge0
Average Mass518.556
Monoisotopic Mass518.23633
SMILESCC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C24H38O12/c1-11-7-13(25)8-23(3,4)24(11,32)6-5-12(2)35-22-20(31)18(29)17(28)15(36-22)10-34-21-19(30)16(27)14(26)9-33-21/h5-7,12,14-22,26-32H,8-10H2,1-4H3/b6-5+
InChIKeyZHAMWJWQXSZIAQ-AATRIKPKSA-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)
Vomifoliol 9-[xylosyl-(1->6)-glucoside] (CHEBI:168188) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0035520HMDB