Chlorofusin
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Formula: C63H99ClN12O19
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Molecular weight: 1364.00
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Smiles: CCCCCCCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)O)CC(C)C)CC(=O)N)CC(=O)N)C)C(C)O)CCCN2C=C3C(=C(C(=O)C(C3=O)(C)OC(=O)CCC)Cl)C(C24CCCO4)O
Chlorofusin
Names
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Mycotoxin name: Chlorofusin
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First synonym: Chlorofusin
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Synonyms: Chlorofusin
Identifiers / External links
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PubChem CID: 24764417
Structure
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Smiles: CCCCCCCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)O)CC(C)C)CC(=O)N)CC(=O)N)C)C(C)O)CCCN2C=C3C(=C(C(=O)C(C3=O)(C)OC(=O)CCC)Cl)C(C24CCCO4)O
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Isomeric smiles: CCCCCCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)[C@@H](C)O)CC(C)C)CC(=O)N)CC(=O)N)C)[C@@H](C)O)CCCN2C=C3C(=C(C(=O)[C@@](C3=O)(C)OC(=O)CCC)Cl)[C@@H]([C@@]24CCCO4)O
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Inchi: InChI=1S/C63H99ClN12O19/c1-11-13-14-15-16-17-21-37-54(86)68-38(22-18-24-76-30-36-46(51(83)63(76)23-19-25-94-63)47(64)52(84)62(10,50(36)82)95-45(81)20-12-2)55(87)74-48(34(8)77)60(92)67-33(7)53(85)70-41(28-43(65)79)57(89)72-42(29-44(66)80)58(90)71-40(27-32(5)6)59(91)75-49(35(9)78)61(93)73-39(26-31(3)4)56(88)69-37/h30-35,37-42,48-49,51,77-78,83H,11-29H2,1-10H3,(H2,65,79)(H2,66,80)(H,67,92)(H,68,86)(H,69,88)(H,70,85)(H,71,90)(H,72,89)(H,73,93)(H,74,87)(H,75,91)/t33-,34+,35+,37+,38-,39+,40+,41-,42+,48-,49-,51-,62-,63-/m0/s1
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Inchikey: VQSGYKUTGGRSPK-SIOACEIBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C63H99ClN12O19
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Molecular weight: 1364.00
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Monoisotopic mass: 1362.6837967
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Fungi
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Fungi id Species 561 Fusarium sp.