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CHEBI:79810 - 3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one

ChEBI IDCHEBI:79810
ChEBI Name3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC19H22O2
Net Charge0
Average Mass282.383
Monoisotopic Mass282.16198
SMILES[H][C@@]12C=Cc3cc(O)cc(C)c3[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1
InChIKeyKRCRSBUGDLOMGX-DRMAHVMPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one (CHEBI:79810) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
1-Methyl-6-dehydroestroneKEGG COMPOUND
Manual XrefsDatabases
C15308KEGG COMPOUND