Aversin
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Formula: C20H16O7
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Molecular weight: 368.30
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Smiles: COC1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3C2=O)OC5C4CCO5)OC
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Type: Versicolorin
Aversin
Names
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Mycotoxin name: Aversin
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First synonym: Aversin
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Synonyms: Aversin,34080-91-6,UNII-OCJ5M677TN,OCJ5M677TN,Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-6-hydroxy-4,8-dimethoxy-, (3aS-cis)-,(-)-Aversin,(3aS-cis)-2,3,3a,12a-Tetrahydro-6-hydroxy-4,8-dimethoxyanthra(2,3-b)furo(3,2-d)furan-5,10-dione,2,3,3a,12a-Tetrahydro-6-hydroxy-4,8-dimethoxyanthra(2,3-b)furo(3,2-d)furan-5,10-dione (3aS-cis)-,(4S,8R)-18-hydroxy-2,16-dimethoxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
Identifiers / External links
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CAS: 34080-91-6
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PubChem CID: 22296216
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ChemSpiderID: 546917
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US FDA (UNII): UNII-OCJ5M677TN
Structure
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Smiles: COC1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3C2=O)OC5C4CCO5)OC
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Isomeric smiles: COC1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3C2=O)O[C@@H]5[C@H]4CCO5)OC
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Inchi: InChI=1S/C20H16O7/c1-24-8-5-10-14(12(21)6-8)18(23)16-11(17(10)22)7-13-15(19(16)25-2)9-3-4-26-20(9)27-13/h5-7,9,20-21H,3-4H2,1-2H3/t9-,20+/m0/s1
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Inchikey: RJMVOYLRGJZYAO-GWNMQOMSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H16O7
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Molecular weight: 368.30
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Monoisotopic mass: 368.08960285
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Fungi
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Fungi id Species 279 Aspergillus ustus 286 Aspergillus versicolor