Dihydrogeodin
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Formula: C17H14Cl2O7
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Molecular weight: 401.20
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Smiles: CC1=C(C(=C(C(=C1Cl)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)OC)O)Cl
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Type: Grisandiene
Dihydrogeodin
Names
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Mycotoxin name: Dihydrogeodin
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First synonym: Dihydrogeodin
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Synonyms: Dihydrogeodin,2151-16-8,Geodin, dihydro-,UNII-2B275P7EST,Methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate,2B275P7EST,Benzoic acid, 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxy-, methyl ester,CHEMBL2035565,DTXSID10346502,CHEBI:155891,BS-1564,m-Anisic acid, 2-(3,5-dichloro-4-methyl-.gamma.-resorcyloyl)-5-hydroxy-, methyl ester,Q27896640,m-Anisic acid, 2-(3,5-dichloro-4-methyl-gamma-resorcyloyl)-5-hydroxy-, methyl ester,methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoate,Methyl 2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate #,2-(3,5-dichloro-2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid methyl ester,2-[2,6-dihydroxy-3,5-dichloro-4-methylbenzoyl]-3-methoxy-5-hydroxybenzoic acid methyl ester
Identifiers / External links
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CAS: 2151-16-8
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PubChem CID: 612831
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DSS TOX CID: DTXCID00297574
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ChemSpiderID: 532732
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ChEMBL: CHEMBL2035565
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US FDA (UNII): UNII-2B275P7EST
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Wikidata (wiki): Q27896640
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Chemical Entities of Biological Interest (CHEBI): CHEBI:155891
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CompTox Chemicals Dashboard (DTXSID): DTXSID10346502
Structure
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Smiles: CC1=C(C(=C(C(=C1Cl)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)OC)O)Cl
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Isomeric smiles: CC1=C(C(=C(C(=C1Cl)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)OC)O)Cl
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Inchi: InChI=1S/C17H14Cl2O7/c1-6-12(18)15(22)11(16(23)13(6)19)14(21)10-8(17(24)26-3)4-7(20)5-9(10)25-2/h4-5,20,22-23H,1-3H3
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Inchikey: AXIPUIQLQUNOCF-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H14Cl2O7
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Molecular weight: 401.20
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Monoisotopic mass: 400.0116582
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Fungi
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Fungi id Species 263 Aspergillus terreus 270 Aspergillus terreus IMI16043