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CHEBI:207263 - Isochromophilol A

ChEBI IDCHEBI:207263
ChEBI NameIsochromophilol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O5
Net Charge0
Average Mass334.412
Monoisotopic Mass334.17802
SMILESCC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@H]2CO1)=C\C(C)CCO
InChIInChI=1S/C19H26O5/c1-12(8-13(2)6-7-20)4-5-15-9-14-10-17(21)19(3,23)18(22)16(14)11-24-15/h4-5,8-10,13,16,18,20,22-23H,6-7,11H2,1-3H3/b5-4+,12-8+/t13?,16-,18+,19-/m0/s1
InChIKeyKVAHSFRJCBQVAW-WANGHWJNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.3987/COM-19-14164)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Isochromophilol A (CHEBI:207263) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8R,8aR)-7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8,8a-dihydro-1H-isochromen-6-one