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CHEBI:213740 - 6-(5-carboxy-3-methylpent-2-enyl)-7-hydroxy-3,5-dimethoxy-4-methylphthalan-1-one

ChEBI IDCHEBI:213740
ChEBI Name6-(5-carboxy-3-methylpent-2-enyl)-7-hydroxy-3,5-dimethoxy-4-methylphthalan-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O7
Net Charge0
Average Mass350.367
Monoisotopic Mass350.13655
SMILESCOc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)O[C@@H]2OC
InChIInChI=1S/C18H22O7/c1-9(6-8-12(19)20)5-7-11-15(21)14-13(10(2)16(11)23-3)18(24-4)25-17(14)22/h5,18,21H,6-8H2,1-4H3,(H,19,20)/t18-/m0/s1
InChIKeyAMLFQHRHSBHKQM-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Penicillium bialowiezense (ncbitaxon:293381) - PubMed (29986508)
ChEBI Ontology
Outgoing Relation(s)
6-(5-carboxy-3-methylpent-2-enyl)-7-hydroxy-3,5-dimethoxy-4-methylphthalan-1-one (CHEBI:213740) is a benzofurans (CHEBI:35259)
IUPAC Name 
6-(4-hydroxy-1,6-dimethoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoic acid
Manual XrefsDatabases
78435270ChemSpider