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CHEBI:90889 - aurachin C epoxide

ChEBI IDCHEBI:90889
ChEBI Nameaurachin C epoxide
Stars
DefinitionAn epoxide resulting from the oxidation of the double bond at the 2-3 position of aurachin C.
Last Modified12 January 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H33NO3
Net Charge0
Average Mass395.543
Monoisotopic Mass395.24604
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC12OC1(C)N(O)c1ccccc1C2=O
InChIInChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25-23(27)21-14-6-7-15-22(21)26(28)24(25,5)29-25/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKeyFORHHPRBEFTLRM-YEFHWUCQSA-N
ChEBI Ontology
Outgoing Relation(s)
aurachin C epoxide (CHEBI:90889) has functional parent aurachin C (CHEBI:90888)
aurachin C epoxide (CHEBI:90889) is a aromatic ketone (CHEBI:76224)
aurachin C epoxide (CHEBI:90889) is a epoxide (CHEBI:32955)
aurachin C epoxide (CHEBI:90889) is a hydroxylamines (CHEBI:24709)
aurachin C epoxide (CHEBI:90889) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
2-hydroxy-1a-methyl-7a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1a,7a-dihydrooxireno[b]quinolin-7(2H)-one
Synonyms  Source
aurachin C 2,3-epoxideChEBI
aurachin-C epoxideChEBI
aurachin-C 2,3-epoxideChEBI
UniProt Name  Source
aurachin C epoxideUniProt
Manual XrefsDatabases
CPD-15913MetaCyc
Citations