Cochliodone c
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Formula: C38H42O16
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Molecular weight: 754.70
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Smiles: CC1CCCC2(O1)C(C3=C(C(=O)C(C(=O)C3=CO2)(C)OC(=O)C)C4=C5C(C6(CCCC(O6)C)OC=C5C(=O)C(C4=O)(C)OC(=O)C)OC(=O)C)OC(=O)C
Cochliodone c
Names
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Mycotoxin name: Cochliodone c
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First synonym: Cochliodone c
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Synonyms: Cochliodone C
Identifiers / External links
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CAS: 1072931-51-1
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PubChem CID: 25108110
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ChemSpiderID: 78437076
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203969
Structure
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Smiles: CC1CCCC2(O1)C(C3=C(C(=O)C(C(=O)C3=CO2)(C)OC(=O)C)C4=C5C(C6(CCCC(O6)C)OC=C5C(=O)C(C4=O)(C)OC(=O)C)OC(=O)C)OC(=O)C
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Isomeric smiles: C[C@@H]1CCC[C@@]2(O1)[C@@H](C3=C(C(=O)[C@@](C(=O)C3=CO2)(C)OC(=O)C)C4=C5[C@H]([C@]6(CCC[C@@H](O6)C)OC=C5C(=O)[C@](C4=O)(C)OC(=O)C)OC(=O)C)OC(=O)C
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Inchi: InChI=1S/C38H42O16/c1-17-11-9-13-37(51-17)33(49-19(3)39)25-23(15-47-37)29(43)35(7,53-21(5)41)31(45)27(25)28-26-24(30(44)36(8,32(28)46)54-22(6)42)16-48-38(34(26)50-20(4)40)14-10-12-18(2)52-38/h15-18,33-34H,9-14H2,1-8H3/t17-,18+,33-,34-,35+,36+,37-,38-/m1/s1
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Inchikey: SEPFUJHYWBHGFP-IJDTUPAPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C38H42O16
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Molecular weight: 754.70
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Monoisotopic mass: 754.24728525
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Fungi
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Fungi id Species