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CHEBI:198563 - F01-1358A

ChEBI IDCHEBI:198563
ChEBI NameF01-1358A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC[C@H](C)C(=O)O)C(=O)OC2
InChIInChI=1S/C20H26O6/c1-11(6-5-7-12(2)19(22)23)8-9-14-17(21)16-15(10-26-20(16)24)13(3)18(14)25-4/h8,12,21H,5-7,9-10H2,1-4H3,(H,22,23)/b11-8+/t12-/m0/s1
InChIKeyQPRODDKTRBCFPV-OBIHZWKSSA-N
Species of MetaboliteComponentSourceComments
Penicillium brevicompactum (ncbitaxon:5074) - PubMed (19575040)
ChEBI Ontology
Outgoing Relation(s)
F01-1358A (CHEBI:198563) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-2,6-dimethyloct-6-enoic acid
Manual XrefsDatabases
28286907ChemSpider