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CHEBI:186695 - Gancaonin F

ChEBI IDCHEBI:186695
ChEBI NameGancaonin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O6
Net Charge0
Average Mass364.353
Monoisotopic Mass364.09469
SMILESCOc1c2c(cc3oc(=O)c4c5ccc(O)cc5oc4c13)OC(C)(C)C=C2
InChIInChI=1S/C21H16O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-9,22H,1-3H3
InChIKeyYURHIASRSSMERJ-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)
Gancaonin F (CHEBI:186695) is a coumestans (CHEBI:72577)
IUPAC Name 
6-hydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20),18-octaen-11-one
Manual XrefsDatabases
LMPK12090043LIPID MAPS
4476337ChemSpider