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CHEBI:229900 - malaccol

ChEBI IDCHEBI:229900
ChEBI Namemalaccol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESCOc1cc2c(cc1OC)C1C(=O)c3c(O)cc4occc4c3OC1CO2
InChIInChI=1S/C20H16O7/c1-23-14-5-10-13(7-15(14)24-2)26-8-16-17(10)19(22)18-11(21)6-12-9(3-4-25-12)20(18)27-16/h3-7,16-17,21H,8H2,1-2H3
InChIKeyWEMVDFMZCALBHH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
malaccol (CHEBI:229900) is a rotenones (CHEBI:72581)
IUPAC Name 
10-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
Manual XrefsDatabases
4477583ChemSpider
LMPK12060025LIPID MAPS