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CHEBI:168994 - 3,4,5-trihydroxy-6-{5-methoxy-2-[(1E)-3-oxopent-1-en-1-yl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:168994
ChEBI Name3,4,5-trihydroxy-6-{5-methoxy-2-[(1E)-3-oxopent-1-en-1-yl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O9
Net Charge0
Average Mass382.365
Monoisotopic Mass382.12638
SMILESCCC(=O)/C=C/c1ccc(OC)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C18H22O9/c1-3-10(19)6-4-9-5-7-11(25-2)8-12(9)26-18-15(22)13(20)14(21)16(27-18)17(23)24/h4-8,13-16,18,20-22H,3H2,1-2H3,(H,23,24)/b6-4+
InChIKeyJRMXFNXBSKZTRT-GQCTYLIASA-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)
3,4,5-trihydroxy-6-{5-methoxy-2-[(1E)-3-oxopent-1-en-1-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:168994) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[5-methoxy-2-[(E)-3-oxopent-1-enyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132990HMDB