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CHEBI:6808 - Methallenestril

ChEBI IDCHEBI:6808
ChEBI NameMethallenestril
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILESCCC(c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)
InChIKeyKHLJKRBMZVNZOC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methallenestril (CHEBI:6808) is a naphthalenes (CHEBI:25477)
Synonyms  Source
MethallenestrilKEGG COMPOUND
methallenestrolDrugCentral
novestrineDrugCentral
vallestrilDrugCentral
Manual XrefsDatabases
C07621KEGG COMPOUND
1731DrugCentral
Registry NumbersSources
CAS:517-18-0KEGG COMPOUND