Clonostachin
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Formula: C78H134N14O25
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Molecular weight: 1668.00
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Smiles: CCC(C)C(C(=O)OC(C(CO)O)C(C(CO)O)O)NC(=O)C(C)(CC)NC(=O)C1CC(CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C2CC(CN2C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C3CC(CN3C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C4CC(CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O
Clonostachin
Names
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Mycotoxin name: Clonostachin
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First synonym: Clonostachin
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Synonyms: CLONOSTACHIN,CHEMBL2386697
Identifiers / External links
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CAS: 189506-07-8
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PubChem CID: 73353449
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ChemSpiderID: 30827953
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ChEMBL: CHEMBL2386697
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219850
Structure
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Smiles: CCC(C)C(C(=O)OC(C(CO)O)C(C(CO)O)O)NC(=O)C(C)(CC)NC(=O)C1CC(CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C2CC(CN2C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C3CC(CN3C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C4CC(CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O
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Isomeric smiles: CC[C@H](C)[C@H](C(=O)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)[C@@](C)(CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C(C)(C)NC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4C[C@H](CN4C(=O)C(C)(C)NC(=O)C)O)O)O)O
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Inchi: InChI=1S/C78H134N14O25/c1-22-41(10)55(64(109)117-57(54(101)38-94)56(102)53(100)37-93)81-66(111)75(18,23-2)86-63(108)52-32-45(98)34-90(52)69(114)74(16,17)87-67(112)76(19,24-3)88-65(110)72(12,13)83-62(107)51-31-46(99)36-92(51)71(116)78(21,26-5)85-59(104)48(28-40(8)9)80-61(106)50-30-44(97)35-91(50)70(115)77(20,25-4)84-58(103)47(27-39(6)7)79-60(105)49-29-43(96)33-89(49)68(113)73(14,15)82-42(11)95/h39-41,43-57,93-94,96-102H,22-38H2,1-21H3,(H,79,105)(H,80,106)(H,81,111)(H,82,95)(H,83,107)(H,84,103)(H,85,104)(H,86,108)(H,87,112)(H,88,110)/t41-,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,75+,76+,77-,78+/m0/s1
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Inchikey: FXTKDCWUFZIDPM-QPEYCMPISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C78H134N14O25
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Molecular weight: 1668.00
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Monoisotopic mass: 1666.96445582
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Fungi
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Fungi id Species 374 Clonostachys sp. F5898