CHEBI:207183 - Penazaphilone D

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ChEBI Name Penazaphilone D
ChEBI ID CHEBI:207183
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H31ClN2O5
Net Charge 0
Average Mass 474.980
Monoisotopic Mass 474.19215
InChI InChI=1S/C25H31ClN2O5/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-28(18)11-7-8-21(27)30)23(31)25(5,33-17(4)29)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H2,27,30)/t15-,25-/m0/s1
InChIKey SXXGKYHZSMYCJR-MQNRADLISA-N
SMILES ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCCC(=O)N)C(=C2)C=CC(=C[C@H](CC)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 Penazaphilone D (CHEBI:207183) is a azaphilone (CHEBI:50941)
IUPAC Name
[(7S)-2-(4-amino-4-oxobutyl)-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate