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CHEBI:188244 - Peroxysimulenoline

ChEBI IDCHEBI:188244
ChEBI NamePeroxysimulenoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C/C=C/C(C)(C)OO)C=C2
InChIInChI=1S/C20H23NO4/c1-19(2,25-23)11-7-12-20(3)13-10-15-17(24-20)14-8-5-6-9-16(14)21(4)18(15)22/h5-11,13,23H,12H2,1-4H3/b11-7+
InChIKeySAIWHEDPKCDURN-YRNVUSSQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Peroxysimulenoline (CHEBI:188244) is a organic heterotricyclic compound (CHEBI:26979)
Peroxysimulenoline (CHEBI:188244) is a organonitrogen heterocyclic compound (CHEBI:38101)
Peroxysimulenoline (CHEBI:188244) is a oxacycle (CHEBI:38104)
IUPAC Name 
2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-2,6-dimethylpyrano[3,2-c]quinolin-5-one
Manual XrefsDatabases
HMDB0031998HMDB
35013426ChemSpider