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CHEBI:34747 - Estrololactone

ChEBI IDCHEBI:34747
ChEBI NameEstrololactone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILES[H][C@@]12CCC(=O)O[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKeyFWJIMKYKNBCAJA-CBZIJGRNSA-N
ChEBI Ontology
Outgoing Relation(s)
Estrololactone (CHEBI:34747) is a organic heterotricyclic compound (CHEBI:26979)
Estrololactone (CHEBI:34747) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
EstrololactoneKEGG COMPOUND
3-Hydroxy-D-homo-17a-oxaestra-1,3,5(10)-trien-17-oneKEGG COMPOUND
Manual XrefsDatabases
C14496KEGG COMPOUND
Registry NumbersSources
CAS:604-82-0KEGG COMPOUND