Isocyclocitrinol b
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Formula: C25H36O4
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Molecular weight: 400.50
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Smiles: CC=CC(C(C)(C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O
Isocyclocitrinol b
Names
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Mycotoxin name: Isocyclocitrinol b
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First synonym: Isocyclocitrinol b
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Synonyms: Isocyclocitrinol B
Identifiers / External links
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CAS: 1042417-84-4
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PubChem CID: 25017707
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ChemSpiderID: 78436538
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Chemical Entities of Biological Interest (CHEBI): CHEBI:199756
Structure
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Smiles: CC=CC(C(C)(C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O
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Isomeric smiles: C/C=C/[C@H]([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/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23+,24-,25+/m0/s1
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Inchikey: UVBQBSNVVCZFQB-SRXDVEBDSA-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