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CHEBI:168230 - Corchoionol C 9-glucoside

ChEBI IDCHEBI:168230
ChEBI NameCorchoionol C 9-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O8
Net Charge0
Average Mass386.441
Monoisotopic Mass386.19407
SMILESCC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+
InChIKeySWYRVCGNMNAFEK-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)
Corchoionol C 9-glucoside (CHEBI:168230) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
4-hydroxy-3,5,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0029772HMDB