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5,6-Dimethoxysterigmatocystin

  • Formula: C20H16O8

  • Molecular weight: 384.30

  • Smiles: COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC

  • Type: Aflatoxin

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5,6-Dimethoxysterigmatocystin

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

Names

  • Mycotoxin name: 5,6-Dimethoxysterigmatocystin

  • First synonym: None

  • Synonyms: 5,6-Dimethoxysterigmatocystin,65176-75-2,dimethoxysterigmatocystin,15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-13-one,DTXSID1020489,10,11-Dimethoxysterigmatocystin,CHEBI:168632,8-hydroxy-6,10,11-tris(methyloxy)-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one,15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0^{2,9}.0^{3,7}.0^{14,19}]icosa-1,4,9,11,14,16,18-heptaen-13-one

Identifiers / External links

Structure

  • Smiles: COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC

  • Isomeric smiles: COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC

  • Inchi: InChI=1S/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3

  • Inchikey: RSPJLZQIZABVSE-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H16O8

  • Molecular weight: 384.30

  • Monoisotopic mass: 384.08451746

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