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CHEBI:213752 - 6-(3-carboxybutyl)-7-hydroxy-5-methoxy-4-methylphthalan-1-one

ChEBI IDCHEBI:213752
ChEBI Name6-(3-carboxybutyl)-7-hydroxy-5-methoxy-4-methylphthalan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILESCOc1c(C)c2c(c(O)c1CC[C@H](C)C(=O)O)C(=O)OC2
InChIInChI=1S/C15H18O6/c1-7(14(17)18)4-5-9-12(16)11-10(6-21-15(11)19)8(2)13(9)20-3/h7,16H,4-6H2,1-3H3,(H,17,18)/t7-/m0/s1
InChIKeyQMNZQJIPOGEXDT-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Penicillium bialowiezense (ncbitaxon:293381) - PubMed (29986508)
ChEBI Ontology
Outgoing Relation(s)
6-(3-carboxybutyl)-7-hydroxy-5-methoxy-4-methylphthalan-1-one (CHEBI:213752) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(2S)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-2-methylbutanoic acid
Manual XrefsDatabases
71048408ChemSpider