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CHEBI:168211 - 7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)

ChEBI IDCHEBI:168211
ChEBI Name7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESCCC/C=C1/OC(=O)c2c(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)cccc21
InChIInChI=1S/C21H24O11/c1-2-3-6-11-10-5-4-7-12(16(10)20(28)30-11)31-21-19(27)18(26)17(25)13(32-21)9-29-15(24)8-14(22)23/h4-7,13,17-19,21,25-27H,2-3,8-9H2,1H3,(H,22,23)/b11-6+
InChIKeyCCRZCLUIQCKUKD-IZZDOVSWSA-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)
7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) (CHEBI:168211) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[[6-[[(1E)-1-butylidene-3-oxo-2-benzouran-4-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
HMDB0034753HMDB