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CHEBI:184485 - cis-12a-Hydroxyrot-2'-enonic acid

ChEBI IDCHEBI:184485
ChEBI Namecis-12a-Hydroxyrot-2'-enonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O7
Net Charge0
Average Mass412.438
Monoisotopic Mass412.15220
SMILESCOc1cc2c(cc1OC)C1(O)C(=O)c3ccc(O)c(CC=C(C)C)c3OC1CO2
InChIInChI=1S/C23H24O7/c1-12(2)5-6-13-16(24)8-7-14-21(13)30-20-11-29-17-10-19(28-4)18(27-3)9-15(17)23(20,26)22(14)25/h5,7-10,20,24,26H,6,11H2,1-4H3
InChIKeyGHBZHAWROFXWAR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
cis-12a-Hydroxyrot-2'-enonic acid (CHEBI:184485) is a rotenones (CHEBI:72581)
IUPAC Name 
9,12a-dihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Manual XrefsDatabases
LMPK12060045LIPID MAPS
24842955ChemSpider