Isochromophilone vii
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Formula: C21H25ClO6
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Molecular weight: 408.90
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Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl
Isochromophilone vii
Names
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Mycotoxin name: Isochromophilone vii
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First synonym: Isochromophilone vii
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Synonyms: Isochromophilone VII,175448-30-3,[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl] acetate,1H-2-Benzopyran-6,8(7H,8aH)-dione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-8a-hydroxy-7-methyl-
Identifiers / External links
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CAS: 175448-30-3
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PubChem CID: 6443571
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ChemSpiderID: 4947550
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Chemical Entities of Biological Interest (CHEBI): CHEBI:209862
Structure
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Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl
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Isomeric smiles: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl
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Inchi: InChI=1S/C21H25ClO6/c1-6-12(2)9-13(3)7-8-15-10-16-17(22)18(24)20(5,28-14(4)23)19(25)21(16,26)11-27-15/h7-10,12,26H,6,11H2,1-5H3/b8-7+,13-9+
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Inchikey: AJQIMDBOBJADCM-NJHPPEEMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H25ClO6
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Molecular weight: 408.90
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Monoisotopic mass: 408.1339662
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Fungi
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Fungi id Species 948 Penicillium sp. FO-4164