CHEBI:193557 - yaequinolone C

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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 yaequinolone C
ChEBI ID CHEBI:193557
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 ChemicalBook:CB0329394, ChemicalBook:CB8109750, eMolecules:494560, ZINC000001531045
Download Molfile XML SDF
Formula C27H33NO7
Net Charge 0
Average Mass 483.561
Monoisotopic Mass 483.22570
InChI InChI=1S/C27H33NO7/c1-25(2,31)20-13-15-26(3,35-20)14-12-16-6-11-19-21(22(16)29)27(32,23(34-5)24(30)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29,31-32H,13,15H2,1-5H3,(H,28,30)/b14-12+/t20?,23-,26?,27+/m0/s1
InChIKey UUEDXFOVEZEJLQ-RPJCIHFCSA-N
SMILES O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)/C=C/C3(CCC(O3)C(C)(C)O)C)C4=CC=C(OC)C=C4
ChEBI Ontology
Outgoing yaequinolone C (CHEBI:193557) is a quinolone (CHEBI:23765)
Synonym Source
yaequinolone C UniProt
Manual Xref Database
CPD-25956 MetaCyc accession
View more database links
Citation Type Source
25859931 PubMed citation SUBMITTER