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CHEBI:79685 - 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one

ChEBI IDCHEBI:79685
ChEBI Name3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
Stars
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H28O2/c1-13(22)19-8-9-20-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19-,20+,21-/m1/s1
InChIKeyILVARFYPEVEZSJ-SSSFQFABSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one (CHEBI:79685) has parent hydride pregnane (CHEBI:8386)
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one (CHEBI:79685) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C15167KEGG COMPOUND