Antibacterial ligands

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  1. Caffeic acid
    Cas#: 331-39-5        Compound CID:  689043
    Formula:  C9H8O4        Molecular Weight: 180.16
    IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
    SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
    InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N
    InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
    Synonyms: (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | caffeic acid | 3-(3,4-dihydroxyphenyl)acrylic acid | (E)-3,4-dihydrox...
  2. Caffeic acid
    Cas#: 331-39-5        Compound CID:  689043
    Formula:  C9H8O4        Molecular Weight: 180.16
    IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
    SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O
    InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N
    InChI: InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
    Synonyms: (E)-3,4-dihydroxycinnamic acid | 3,4-Dihydroxycinnamic acid
  3. Walrycin B
    Cas#: 878419-78-4        Compound CID:  3164070
    Formula:  C14H10F3N5O2        Molecular Weight: 337.26
    IUPAC Name: 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
    SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
    InChIKey: XRVMPTWWKLKLPB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
  4. Walrycin B
    Cas#: 878419-78-4        Compound CID:  3164070
    Formula:  C14H10F3N5O2        Molecular Weight: 337.26
    IUPAC Name: 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
    SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
    InChIKey: XRVMPTWWKLKLPB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
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