Metabolites

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  1. Diethylstilbestrol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γ
    Cas#: 56-53-1        Compound CID:  448537
    Formula:  C18H20O2        Molecular Weight: 268.35
    IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
    InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
    Synonyms: DES | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | Diethylstilbesterol | Makarol | Stilbofolin | 4,4'-(Hex-3-ene...
  2. Adenosine 3′,5′-cyclic monophosphate, Activator of CNGA2;Activator of CNGA3;Activator of HCN1;Activator of HCN2;Activator of protein kinase A
    Cas#: 60-92-4        Compound CID:  6076
    Formula:  C10H12N5O6P        Molecular Weight: 329.21
    IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
    SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
    InChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-N
    InChI: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: cAMP | bmse000071 | cAMP | Cyclic Monophosphate, Adenosine | 3',5'-cyclic AMP | Adenosine 3',5'-cyclic phosphate | AD...
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