EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:182194 - Yaequinolone B_120182

ChEBI IDCHEBI:182194
ChEBI NameYaequinolone B_120182
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO6
Net Charge0
Average Mass383.400
Monoisotopic Mass383.13689
SMILESCOc1ccc([C@@]2(O)c3c(ccc(/C=C/C(C)=O)c3O)NC(=O)[C@@H]2OC)cc1
InChIInChI=1S/C21H21NO6/c1-12(23)4-5-13-6-11-16-17(18(13)24)21(26,19(28-3)20(25)22-16)14-7-9-15(27-2)10-8-14/h4-11,19,24,26H,1-3H3,(H,22,25)/b5-4+/t19-,21+/m0/s1
InChIKeyXYRSQOXRWJBEIG-PXODQFSGSA-N
ChEBI Ontology
Outgoing Relation(s)
Yaequinolone B_120182 (CHEBI:182194) is a quinolines (CHEBI:26513)
IUPAC Name 
(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-3-oxobut-1-enyl]-1,3-dihydroquinolin-2-one
Manual XrefsDatabases
17250055ChemSpider