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[1. A metabolite of 17β-estradiol, commonly found in urine, ovaries, and placenta; has considerably less biologic activity than the parent hormone.
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pre_formula( "InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "jqp032/5870.html" ); ?>
Molecular Formula:
C18H22O2
InChI: InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey: InChIKey=DNXHEGUUPJUMQT-CBZIJGRNBW
SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc4cc(O)ccc24
CAS number 53-16-7
Names:
Estrone
estrone
follicular hormone
folliculin
oestrone
Prestwick0_000914
(8S,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
3-Hydroxy-1,3,5(10)-estratrien-17-one
name_it( "InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "jqp032/5870.html" ); ?>
Registries:
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PubChem CID 5870
Beilstein =1915077
CAS 53-16-7 (from NIST)
ChEBI 17263
Gmelin 542591
Kegg C00468
PubChem ID 11466942
PubChem ID 3751
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