CHEBI:193560 - penigequinolone B

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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 penigequinolone B
ChEBI ID CHEBI:193560
Definition Published in DOI:10.1038/ja.2006.86
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ZINC000031158852
Download Molfile XML SDF
Formula C27H33NO6
Net Charge 0
Average Mass 467.562
Monoisotopic Mass 467.23079
InChI InChI=1S/C27H33NO6/c1-25(2)14-15-26(3,34-16-25)13-12-17-6-11-20-21(22(17)29)27(31,23(33-5)24(30)28-20)18-7-9-19(32-4)10-8-18/h6-13,23,29,31H,14-16H2,1-5H3,(H,28,30)/b13-12+/t23-,26-,27+/m0/s1
InChIKey CVWJKBJRSZXDIW-NURUMYOOSA-N
SMILES O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)/C=C/[C@]3(CCC(CO3)(C)C)C)C4=CC=C(OC)C=C4
ChEBI Ontology
Outgoing penigequinolone B (CHEBI:193560) is a quinolone (CHEBI:23765)
Synonym Source
penigequinolone B UniProt
Manual Xref Database
CPD-25966 MetaCyc accession
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