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CHEBI:214924 - Penicacid A

ChEBI IDCHEBI:214924
ChEBI NamePenicacid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O7
Net Charge0
Average Mass350.367
Monoisotopic Mass350.13655
SMILESCOc1c(C)c2c(c(OC)c1CC=C(C)[C@@H](O)CC(=O)O)C(=O)OC2
InChIInChI=1S/C18H22O7/c1-9(13(19)7-14(20)21)5-6-11-16(23-3)10(2)12-8-25-18(22)15(12)17(11)24-4/h5,13,19H,6-8H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyFLHIJSDWAVXPEH-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22464133)
ChEBI Ontology
Outgoing Relation(s)
Penicacid A (CHEBI:214924) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(3S)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-3-hydroxy-4-methylhex-4-enoic acid
Manual XrefsDatabases
78437527ChemSpider