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CHEBI:185422 - Bavacoumestan A

ChEBI IDCHEBI:185422
ChEBI NameBavacoumestan A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O6
Net Charge0
Average Mass352.342
Monoisotopic Mass352.09469
SMILESCC1(C)Oc2cc3oc4c5ccc(O)cc5oc(=O)c4c3cc2CC1O
InChIInChI=1S/C20H16O6/c1-20(2)16(22)6-9-5-12-15(8-13(9)26-20)24-18-11-4-3-10(21)7-14(11)25-19(23)17(12)18/h3-5,7-8,16,21-22H,6H2,1-2H3
InChIKeyRPMMXKVPBSLSDA-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)
Bavacoumestan A (CHEBI:185422) is a coumestans (CHEBI:72577)
IUPAC Name 
6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one
Manual XrefsDatabases
LMPK12090017LIPID MAPS
4479454ChemSpider