CHEBI:207195 - Penazaphilone G

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penazaphilone G
ChEBI ID CHEBI:207195
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H54Cl2N2O8
Net Charge 0
Average Mass 833.840
Monoisotopic Mass 832.32572
InChI InChI=1S/C46H54Cl2N2O8/c1-11-27(3)21-29(5)15-17-33-23-35-37(41(53)45(9,57-31(7)51)43(55)39(35)47)25-49(33)19-13-14-20-50-26-38-36(24-34(50)18-16-30(6)22-28(4)12-2)40(48)44(56)46(10,42(38)54)58-32(8)52/h15-18,21-28H,11-14,19-20H2,1-10H3/t27-,28-,45-,46-/m0/s1
InChIKey GXUYGLKNAQMTRM-KNWFILBFSA-N
SMILES ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(CCCCN3C(=CC4=C(Cl)C(=O)[C@](C(C4=C3)=O)(OC(=O)C)C)C=CC(=C[C@H](CC)C)C)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Penazaphilone G (CHEBI:207195) is a azaphilone (CHEBI:50941)
IUPAC Name
[(7S)-2-[4-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butyl]-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate