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CHEBI:227445 - Yaequinolone J2

ChEBI IDCHEBI:227445
ChEBI NameYaequinolone J2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO5
Net Charge0
Average Mass449.547
Monoisotopic Mass449.22022
SMILESCOc1ccc([C@@]2(O)c3c(ccc4c3O[C@](C)(CCC=C(C)C)C=C4)NC(=O)[C@@H]2OC)cc1
InChIInChI=1S/C27H31NO5/c1-17(2)7-6-15-26(3)16-14-18-8-13-21-22(23(18)33-26)27(30,24(32-5)25(29)28-21)19-9-11-20(31-4)12-10-19/h7-14,16,24,30H,6,15H2,1-5H3,(H,28,29)/t24-,26+,27+/m0/s1
InChIKeyCPWPNTRWIIAFEG-WYMJOSIYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17191680)
ChEBI Ontology
Outgoing Relation(s)
Yaequinolone J2 (CHEBI:227445) is a quinolines (CHEBI:26513)
IUPAC Name 
(2R,9R,10R)-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,9-dihydropyrano[2,3-]quinolin-8-one
Manual XrefsDatabases
9844294ChemSpider