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Bisdechlorogeodin

  • Formula: C17H14O7

  • Molecular weight: 330.29

  • Smiles: CC1=CC(=C2C(=C1)OC3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O

  • Type: Grisandiene

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Bisdechlorogeodin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Bisdechlorogeodin

  • First synonym: Antibiotic C3368-A

  • Synonyms: Bisdechlorogeodin,3209-31-2,Antibiotic C3368-A,Bis-dechlorogeodin,CHEBI:22899,methyl 4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate,C3368-A,Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid, 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-, methyl ester,CHEMBL512514,DTXSID00953966,AKOS030213174,Q27109574,4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid methyl ester,Methyl 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate,methyl 4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate

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Structure

  • Smiles: CC1=CC(=C2C(=C1)OC3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O

  • Isomeric smiles: CC1=CC(=C2C(=C1)OC3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O

  • Inchi: InChI=1S/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3

  • Inchikey: JCMPRFCVZKOFIT-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H14O7

  • Molecular weight: 330.29

  • Monoisotopic mass: 330.07395278

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