Cochliospicin a
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Formula: C17H22O6
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Molecular weight: 322.40
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Smiles: CCC1(C(=O)C2=C(C(C(OC2)C)C)C(=O)C13CC(C(=O)O3)O)C
Cochliospicin a
Names
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Mycotoxin name: Cochliospicin a
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First synonym: Cochliospicin a
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Synonyms: Cochliospicin A,(3R,4'R,6S,7R)-7-Ethyl-1,3,4,7-tetrahydro-3,4alpha,7-trimethyl-4'-hydroxyspiro[6H-2-benzopyran-6,2'(3'H)-furan]-5,5',8(4'H)-trione
Identifiers / External links
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CAS: 187944-32-7
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PubChem CID: 10567832
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ChemSpiderID: 8743219
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Chemical Entities of Biological Interest (CHEBI): CHEBI:215848
Structure
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Smiles: CCC1(C(=O)C2=C(C(C(OC2)C)C)C(=O)C13CC(C(=O)O3)O)C
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Isomeric smiles: CC[C@]1(C(=O)C2=C([C@H]([C@H](OC2)C)C)C(=O)[C@]13C[C@H](C(=O)O3)O)C
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Inchi: InChI=1S/C17H22O6/c1-5-16(4)13(19)10-7-22-9(3)8(2)12(10)14(20)17(16)6-11(18)15(21)23-17/h8-9,11,18H,5-7H2,1-4H3/t8-,9+,11+,16-,17+/m0/s1
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Inchikey: YXBCBQJJLPBBMD-IWFFIOHPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H22O6
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Molecular weight: 322.40
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Monoisotopic mass: 322.14163842
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Fungi
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Fungi id Species 385 Cochliobolus spicifer