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CHEBI:199043 - Citriquinochroman

ChEBI IDCHEBI:199043
ChEBI NameCitriquinochroman
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H22N2O5
Net Charge0
Average Mass442.471
Monoisotopic Mass442.15287
SMILESCOc1cc(O)c(C)c2c1[C@@H](c1ccc3n1C(=O)c1c-3nc3ccccc3c1=O)O[C@@H](C)C2
InChIInChI=1S/C26H22N2O5/c1-12-10-15-13(2)19(29)11-20(32-3)21(15)25(33-12)18-9-8-17-23-22(26(31)28(17)18)24(30)14-6-4-5-7-16(14)27-23/h4-9,11-12,25,29H,10H2,1-3H3,(H,27,30)/t12-,25+/m0/s1
InChIKeyYMMHCLHJARLKFK-UOXLDJKESA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (23713692)
ChEBI Ontology
Outgoing Relation(s)
Citriquinochroman (CHEBI:199043) is a quinolines (CHEBI:26513)
IUPAC Name 
14-[(1S,3S)-6-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1H-isochromen-1-yl]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione
Manual XrefsDatabases
29784798ChemSpider