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CHEBI:198999 - 5-(3'-carboxy-3'-methyl-2E-allyloxy)-3-methoxy-4-methylphthalide

ChEBI IDCHEBI:198999
ChEBI Name5-(3'-carboxy-3'-methyl-2E-allyloxy)-3-methoxy-4-methylphthalide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESCOc1c(C)c(OC/C=C(\C)C(=O)O)cc2c1COC2=O
InChIInChI=1S/C15H16O6/c1-8(14(16)17)4-5-20-12-6-10-11(7-21-15(10)18)13(19-3)9(12)2/h4,6H,5,7H2,1-3H3,(H,16,17)/b8-4+
InChIKeyYVGREWMREWDOGD-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis photiniae (ncbitaxon:289238) - PubMed (21915132)
ChEBI Ontology
Outgoing Relation(s)
5-(3'-carboxy-3'-methyl-2E-allyloxy)-3-methoxy-4-methylphthalide (CHEBI:198999) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(E)-4-[(7-methoxy-6-methyl-3-oxo-1H-2-benzouran-5-yl)oxy]-2-methylbut-2-enoic acid
Manual XrefsDatabases
78434627ChemSpider