Kinamycin A |
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Molecular weight: 496.42
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Iso. SMILES:
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CC(=O)O[C@@H]1[C@H](C2=C([C@H]([C@@]1(C)OC(=O)C)OC(=O)C)C(=[N+]=[N-])C3=C2C(=O)C4=C(C3=O)C(=CC=C4)O)O
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InChI Key:
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JIYPIUWXCOFASH-OLKYXYMISA-N
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Can. SMILES:
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CC(=O)O[C@@H]1C2=C(C3=C(C2=[N+]=[N-])C(=O)C4=C(C=CC=C4C3=O)O)[C@@H]([C@H]([C@]1(C)OC(=O)C)OC(=O)C)O
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InChI:
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InChI=1S/C24H20N2O10/c1-8(27)34-22-17-15(21(33)23(35-9(2)28)24(22,4)36-10(3)29)14-16(18(17)26-25)20(32)13-11(19(14)31)6-5-7-12(13)30/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1
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Kinamycin C |
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Molecular weight: 496.42
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Iso. SMILES:
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CC(=O)O[C@@H]1[C@H]([C@]([C@@H](C2=C1C3=C(C2=[N+]=[N-])C(=O)C4=C(C3=O)C=CC=C4O)OC(=O)C)(C)O)OC(=O)C
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InChI Key:
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MXDLFLPONIABIS-OLKYXYMISA-N
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Can. SMILES:
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CC(=O)O[C@H]1C2=C(C(=[N+]=[N-])C3=C2C(=O)C4=CC=CC(=C4C3=O)O)[C@H]([C@](C)([C@@H]1OC(=O)C)O)OC(=O)C
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InChI:
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InChI=1S/C24H20N2O10/c1-8(27)34-21-15-14-16(20(32)13-11(19(14)31)6-5-7-12(13)30)18(26-25)17(15)22(35-9(2)28)24(4,33)23(21)36-10(3)29/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1
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