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CHEBI:169398 - 3,4,5-trihydroxy-6-[5-methoxy-2-(4-methyl-3-oxopent-1-en-1-yl)phenoxy]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:169398
ChEBI Name3,4,5-trihydroxy-6-[5-methoxy-2-(4-methyl-3-oxopent-1-en-1-yl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O9
Net Charge0
Average Mass396.392
Monoisotopic Mass396.14203
SMILESCOc1ccc(/C=C\C(=O)C(C)C)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C19H24O9/c1-9(2)12(20)7-5-10-4-6-11(26-3)8-13(10)27-19-16(23)14(21)15(22)17(28-19)18(24)25/h4-9,14-17,19,21-23H,1-3H3,(H,24,25)/b7-5-
InChIKeyGUBFEQWWNOOZHM-ALCCZGGFSA-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-(4-methyl-3-oxopent-1-en-1-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:169398) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[5-methoxy-2-[(Z)-4-methyl-3-oxopent-1-enyl]phenoxy]oxane-2-carboxylic acid