| Nannochelin B |
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Molecular weight: 754.78
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Iso. SMILES:
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COC(=O)[C@H](CCCCN(C(=O)/C=C/C1=CC=CC=C1)O)NC(=O)CC(CC(=O)NC(CCCCN(C(=O)/C=C/C2=CC=CC=C2)O)C(=O)O)(C(=O)O)O
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InChI Key:
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MSIKUOJWOBZEKW-VEIBTSJQSA-N
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Can. SMILES:
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COC(=O)[C@H](CCCCN(C(=O)/C=C/C1=CC=CC=C1)O)NC(=O)CC(CC(=O)NC(CCCCN(C(=O)/C=C/C2=CC=CC=C2)O)C(=O)O)(C(=O)O)O
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InChI:
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InChI=1S/C37H46N4O13/c1-54-35(48)29(17-9-11-23-41(53)33(45)21-19-27-14-6-3-7-15-27)39-31(43)25-37(51,36(49)50)24-30(42)38-28(34(46)47)16-8-10-22-40(52)32(44)20-18-26-12-4-2-5-13-26/h2-7,12-15,18-21,28-29,51-53H,8-11,16-17,22-25H2,1H3,(H,38,42)(H,39,43)(H,46,47)(H,49,50)/b20-18+,21-19+/t28?,29-,37?/m0/s1
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| Nannochelin C |
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Molecular weight: 740.75
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Iso. SMILES:
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C1=CC=C(C=C1)/C=C/C(=O)N(O)CCCC[C@H](NC(=O)CC(O)(C(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)/C=C/C2=CC=CC=C2)C(=O)O
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InChI Key:
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NJZHNIXLUZOOST-KIPNRVANSA-N
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Can. SMILES:
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C1=CC=C(C=C1)/C=C/C(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)/C=C/C2=CC=CC=C2)O)C(=O)O)(C(=O)O)O)O
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InChI:
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InChI=1S/C36H44N4O13/c41-29(37-27(33(45)46)15-7-9-21-39(52)31(43)19-17-25-11-3-1-4-12-25)23-36(51,35(49)50)24-30(42)38-28(34(47)48)16-8-10-22-40(53)32(44)20-18-26-13-5-2-6-14-26/h1-6,11-14,17-20,27-28,51-53H,7-10,15-16,21-24H2,(H,37,41)(H,38,42)(H,45,46)(H,47,48)(H,49,50)/b19-17+,20-18+/t27-,28-/m0/s1
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