EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186773 - Dehydrodeguelin,7a,13a-Didehydrodeguelin

ChEBI IDCHEBI:186773
ChEBI NameDehydrodeguelin,7a,13a-Didehydrodeguelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O6
Net Charge0
Average Mass392.407
Monoisotopic Mass392.12599
SMILESCOc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2
InChIInChI=1S/C23H20O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10H,11H2,1-4H3
InChIKeyNGQVFILFHVPLFE-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)
Dehydrodeguelin,7a,13a-Didehydrodeguelin (CHEBI:186773) is a rotenones (CHEBI:72581)
IUPAC Name 
17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
Manual XrefsDatabases
LMPK12060068LIPID MAPS
2340957ChemSpider
Registry NumbersSources
CAS:3466-23-7ChemIDplus