24-epi-cyclocitrinol
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Formula: C25H36O4
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Molecular weight: 400.50
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Smiles: CC(C=CC(C)(C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O
24-epi-cyclocitrinol
Names
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Mycotoxin name: 24-epi-cyclocitrinol
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First synonym: 24-epi-cyclocitrinol
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Synonyms: 24-epi-cyclocitrinol,CHEMBL496266
Identifiers / External links
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CAS: 1042417-81-1
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PubChem CID: 44587546
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ChemSpiderID: 28285484
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ChEMBL: CHEMBL496266
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207916
Structure
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Smiles: CC(C=CC(C)(C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O
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Isomeric smiles: C[C@@H](/C=C/C(C)(C1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)O
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Inchi: InChI=1S/C25H36O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15-,17-,18-,19+,21-,23?,24-,25?/m0/s1
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Inchikey: QZAMIRPHNVBTIV-FBHGWYSSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H36O4
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Molecular weight: 400.50
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Monoisotopic mass: 400.26135963
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Fungi
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Fungi id Species 770 Penicillium citrinum HGY1-5