CHEBI:204197 - Pinophilin A

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ChEBI Name Pinophilin A
ChEBI ID CHEBI:204197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O7
Net Charge 0
Average Mass 386.400
Monoisotopic Mass 386.13655
InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
InChIKey JCQWLKQBYHSHOG-DAYKGMGPSA-N
SMILES O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)O)/C=C/C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via azaphilone )
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ChEBI Ontology
Outgoing Pinophilin A (CHEBI:204197) is a azaphilone (CHEBI:50941)
IUPAC Name
[(7S,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Manual Xref Database
28502708 ChemSpider
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