CHEBI:215459 - Pesimquinolone G

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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 Pesimquinolone G
ChEBI ID CHEBI:215459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H31NO5
Net Charge 0
Average Mass 449.547
Monoisotopic Mass 449.22022
InChI InChI=1S/C27H31NO5/c1-15(2)19-11-6-16(3)14-21(19)20-12-13-22-23(24(20)29)27(31,25(33-5)26(30)28-22)17-7-9-18(32-4)10-8-17/h7-10,12-14,19,21,25,29,31H,1,6,11H2,2-5H3,(H,28,30)/t19-,21+,25+,27-/m0/s1
InChIKey CHPXZUPXHVOEDT-UTMJBXDJSA-N
SMILES O=C1NC2=C(C(O)=C([C@@H]3C=C(CC[C@H]3C(=C)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=C(OC)C=C4
Metabolite of Species Details
Penicillium simplicissimum (NCBI:txid69488) See: PubMed
ChEBI Ontology
Outgoing Pesimquinolone G (CHEBI:215459) is a quinolines (CHEBI:26513)
IUPAC Name
(3S,4S)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-1,3-dihydroquinolin-2-one