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Erythrostominone

  • Formula: C17H16O8

  • Molecular weight: 348.30

  • Smiles: CC(=O)CC1CC(C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)O

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Erythrostominone

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

  • Mycotoxin name: Erythrostominone

  • First synonym: Erythrostominone

  • Synonyms: Erythrostominone,26153-04-8,(+)-Erythrostominone,DTXSID00180775,ZINC5159769,2beta-Acetonyl-4alpha,6,9-trihydroxy-8-methoxy-3,4-dihydro-2H-naphtho[2,3-b]pyran-5,10-dione,2H-Naphtho(2,3-b)pyran-6,9-dione, 2-acetonyl-3,4-dihydro-4,5,10-trihydroxy-8-methoxy-, (+)-

Identifiers / External links

  • CAS: 26153-04-8

  • PubChem CID: 179473

  • DSS TOX CID: DTXCID40103266

  • ChemSpiderID: 156223

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:194114

  • CompTox Chemicals Dashboard (DTXSID): DTXSID00180775

Structure

  • Smiles: CC(=O)CC1CC(C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)O

  • Isomeric smiles: CC(=O)C[C@H]1C[C@@H](C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)O

  • Inchi: InChI=1S/C17H16O8/c1-6(18)3-7-4-8(19)12-15(22)11-9(20)5-10(24-2)14(21)13(11)16(23)17(12)25-7/h5,7-8,19,22-23H,3-4H2,1-2H3/t7-,8-/m0/s1

  • Inchikey: XCCPWOLOVUKRKJ-YUMQZZPRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H16O8

  • Molecular weight: 348.30

  • Monoisotopic mass: 348.08451746

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