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CHEBI:168749 - Corchoionoside B

ChEBI IDCHEBI:168749
ChEBI NameCorchoionoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O9
Net Charge0
Average Mass400.424
Monoisotopic Mass400.17333
SMILESCC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+
InChIKeyFUXBESIRIBMOMU-SNAWJCMRSA-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)
Corchoionoside B (CHEBI:168749) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0030975HMDB