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CHEBI:135368 - cyclocoumarol

ChEBI IDCHEBI:135368
ChEBI Namecyclocoumarol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCOC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChIKeyZGFASEKBKWVCGP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclocoumarol (CHEBI:135368) is a coumarins (CHEBI:23403)
Synonyms  Source
cumopyrinDrugCentral
cumopyranDrugCentral
cyclocumarolDrugCentral
methanopyranorinDrugCentral
methopyranorinDrugCentral
Manual XrefsDatabases
3121DrugCentral
2993PPDB
Registry NumbersSources
CAS:518-20-7DrugCentral