CHEBI:207171 - Penazaphilone B

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ChEBI Name Penazaphilone B
ChEBI ID CHEBI:207171
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36ClNO6
Net Charge 0
Average Mass 518.050
Monoisotopic Mass 517.22312
InChI InChI=1S/C28H36ClNO6/c1-9-17(4)13-18(5)10-11-20-14-21-22(15-30(20)23(12-16(2)3)27(34)35-8)25(32)28(7,36-19(6)31)26(33)24(21)29/h10-11,13-17,23H,9,12H2,1-8H3/t17-,23?,28-/m0/s1
InChIKey JWHIWZAITLJMLU-LUJBDZGHSA-N
SMILES ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(C(C(=O)OC)CC(C)C)C(=C2)C=CC(=C[C@H](CC)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penazaphilone B (CHEBI:207171) is a leucine derivative (CHEBI:47003)
IUPAC Name
methyl 2-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-4-methylpentanoate