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CHEBI:212363 - 6-(methyl 3-methylbutanoate)-7-hydroxy-5-methoxy-4-methylphthalan-1-one

ChEBI IDCHEBI:212363
ChEBI Name6-(methyl 3-methylbutanoate)-7-hydroxy-5-methoxy-4-methylphthalan-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCOC(=O)[C@@H](C)CCc1c(O)c2c(c(C)c1OC)COC2=O
InChIInChI=1S/C16H20O6/c1-8(15(18)21-4)5-6-10-13(17)12-11(7-22-16(12)19)9(2)14(10)20-3/h8,17H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPMGOPHXWOQZNND-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28218640)
ChEBI Ontology
Outgoing Relation(s)
6-(methyl 3-methylbutanoate)-7-hydroxy-5-methoxy-4-methylphthalan-1-one (CHEBI:212363) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
methyl 4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-2-methylbutanoate
Manual XrefsDatabases
61362100ChemSpider