Metabolites

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  1. Ethinyl Estradiol, Estrogen receptor alpha agonist
    Cas#: 57-63-6        Compound CID:  5991
    Formula:  C20H24O2        Molecular Weight: 296.4
    IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
    InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N
    InChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
    Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
  2. 5,8,11,14-Eicosatetraynoic acid, Agonist of Peroxisome proliferator-activated receptor-α
    Cas#: 1191-85-1        Compound CID:  1780
    Formula:  C20H24O2        Molecular Weight: 296.5
    IUPAC Name: icosa-5,8,11,14-tetraynoic acid
    SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
    InChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
    Synonyms: Bio1_000150 | HMS3402I11 | Eicosatetraynoic acid | HMS1989I11 | HMS1361I11 | NCGC00021784-05 | MLS000069514 | NCGC000...
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