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CHEBI:218144 - Isopenicillide

ChEBI IDCHEBI:218144
ChEBI NameIsopenicillide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCOc1c([C@@H](O)CC(C)(C)O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C21H24O7/c1-11-7-12-10-27-20(24)17-16(28-18(12)14(22)8-11)6-5-13(19(17)26-4)15(23)9-21(2,3)25/h5-8,15,22-23,25H,9-10H2,1-4H3/t15-/m0/s1
InChIKeyVEFXEQGGTGFPCA-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26291474)
ChEBI Ontology
Outgoing Relation(s)
Isopenicillide (CHEBI:218144) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[(1S)-1,3-dihydroxy-3-methylbutyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
40256571ChemSpider