| Decatromicin A |
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Molecular weight: 821.4
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Iso. SMILES:
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CC[C@H]1C[C@@]23C(=O)C(=C([C@]4([C@@H]5CC[C@@H]([C@@H]([C@H]5C=C[C@H]4C/C=C/C/C(=C/[C@]2(C=C1C(=O)O)C)/C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=CN7)Cl)O)C)CC)O)C(=O)O3
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InChI Key:
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LSANQCYQTPFAGU-PRRJNIGWSA-N
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Can. SMILES:
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CC[C@H]1C[C@@]23C(=O)C(=C([C@]4(CC)[C@H](C/C=C/C/C(=C/[C@@]2(C)C=C1C(=O)O)/C)C=C[C@H]5[C@H]4CC[C@H](C)[C@@H]5O[C@H]6C[C@H]([C@@H]([C@@H](C)O6)NC(=O)C7=C(C=CN7)Cl)O)O)C(=O)O3
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InChI:
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InChI=1S/C45H57ClN2O10/c1-7-26-21-45-39(51)34(42(55)58-45)38(50)44(8-2)27(12-10-9-11-23(3)20-43(45,6)22-29(26)41(53)54)14-15-28-30(44)16-13-24(4)37(28)57-33-19-32(49)35(25(5)56-33)48-40(52)36-31(46)17-18-47-36/h9-10,14-15,17-18,20,22,24-28,30,32-33,35,37,47,49-50H,7-8,11-13,16,19,21H2,1-6H3,(H,48,52)(H,53,54)/b10-9+,23-20+,38-34?/t24-,25+,26-,27+,28-,30+,32+,33-,35+,37-,43-,44+,45+/m0/s1
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| Decatromicin B |
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Molecular weight: 855.84
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Iso. SMILES:
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CC[C@H]1C[C@@]23C(=O)C(=C([C@]4([C@@H]5CC[C@@H]([C@@H]([C@H]5C=C[C@H]4C/C=C/C/C(=C/[C@]2(C=C1C(=O)O)C)/C)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=C(N7)Cl)Cl)O)C)CC)O)C(=O)O3
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InChI Key:
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UYAXASMGHNZATD-FUUFVBDZSA-N
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Can. SMILES:
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CC[C@H]1C[C@@]23C(=O)C(=C([C@]4(CC)[C@H](C/C=C/C/C(=C/[C@@]2(C)C=C1C(=O)O)/C)C=C[C@H]5[C@H]4CC[C@H](C)[C@@H]5O[C@H]6C[C@@H]([C@@H]([C@@H](C)O6)NC(=O)C7=C(C=C(Cl)N7)Cl)O)O)C(=O)O3
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InChI:
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InChI=1S/C45H56Cl2N2O10/c1-7-25-20-45-39(52)34(42(56)59-45)38(51)44(8-2)26(12-10-9-11-22(3)19-43(45,6)21-28(25)41(54)55)14-15-27-29(44)16-13-23(4)37(27)58-33-18-31(50)35(24(5)57-33)49-40(53)36-30(46)17-32(47)48-36/h9-10,14-15,17,19,21,23-27,29,31,33,35,37,48,50-51H,7-8,11-13,16,18,20H2,1-6H3,(H,49,53)(H,54,55)/b10-9+,22-19+,38-34?/t23-,24+,25-,26+,27-,29+,31-,33-,35+,37-,43-,44+,45+/m0/s1
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