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CHEBI:81554 - Deoxymiroestrol

ChEBI IDCHEBI:81554
ChEBI NameDeoxymiroestrol
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FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILES[H]C12C[C@]3(O)CC(=O)[C@@]([H])(C4=COc5cc(O)ccc5[C@@]4([H])C1(C)C)[C@]2([H])[C@H]3O
InChIInChI=1S/C20H22O5/c1-19(2)12-6-20(24)7-13(22)15(16(12)18(20)23)11-8-25-14-5-9(21)3-4-10(14)17(11)19/h3-5,8,12,15-18,21,23-24H,6-7H2,1-2H3/t12-,15+,16+,17+,18+,20+/m0/s1
InChIKeyAZKZPXFWTQSDET-ZMNKABNMSA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxymiroestrol (CHEBI:81554) is a organic heterotricyclic compound (CHEBI:26979)
Deoxymiroestrol (CHEBI:81554) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
C18164KEGG COMPOUND