Metabolites

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  1. Gallic acid, Inhibitor of carbonic anhydrase 1
    Cas#: 149-91-7        Compound CID:  370
    Formula:  C7H6O5        Molecular Weight: 170.12
    IUPAC Name: 3,4,5-trihydroxybenzoic acid
    SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O
    InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N
    InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
    Synonyms: NSC 674319 | gallate | HSDB 2117 | CCRIS 5523 | Gallic acid, tech. | Kyselina gallova | MFCD00002510 | CHEBI:30778 | ...
  2. 1-Chloro-2,2,2-trifluoroethyl Difluoromethyl Ether, Potassium channel subfamily K member 2 opener
    Cas#: 26675-46-7        Compound CID:  3763
    Formula:  C3H2ClF5O        Molecular Weight: 184.49
    IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
    SMILES: C(C(F)(F)F)(OC(F)F)Cl
    InChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-N
    InChI: InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
    Synonyms: BBL100111 | SY050218 | A818554 | CAS-26675-46-7 | Isoflurano [INN-Spanish] | IsoSol | STL454337 | TerrellHSDB 8057 | ...
  3. lysophosphatidylserine, Agonist of GPR174;Agonist of GPR34
    IUPAC Name: (2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
    SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O
    InChIKey: ZPDQFUYPBVXUKS-YADHBBJMSA-N
    InChI: InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
    Synonyms: lysophosphatidylserine | 1-stearoyl-sn-glycero-3-phosphoserine | 1-octadecanoyl-sn-glycero-3-phospho-L-serine | LysoP...
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