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Demethylsterigmatocystin

  • Formula: C17H10O6

  • Molecular weight: 310.26

  • Smiles: C1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC4=C3C5C=COC5O4)O)O

  • Type: Aflatoxin

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Demethylsterigmatocystin

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

Names

  • Mycotoxin name: Demethylsterigmatocystin

  • First synonym: None

  • Synonyms: 6-Demethylsterigmatocystin,Demethylsterigmatocystin,30461-65-5,(3S,7R)-11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one,CCRIS 3229,BRN 0050791,O-Demethylsterigmatocystin,4-19-00-05220 (Beilstein Handbook Reference),SCHEMBL437989,CHEBI:18236,LMPK10000002,NSC790862,NSC-790862,7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-6,8-dihydroxy-, (-)-,C03683,Q27102930,(3aR,12cS)-6,8-dihydroxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one,7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-6,8-dihydroxy-, (3aR,12cS)-

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Structure

  • Smiles: C1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC4=C3C5C=COC5O4)O)O

  • Isomeric smiles: C1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC4=C3[C@@H]5C=CO[C@@H]5O4)O)O

  • Inchi: InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1

  • Inchikey: RQQOEIJLJPCYJR-BWKAKNAASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H10O6

  • Molecular weight: 310.26

  • Monoisotopic mass: 310.04773803

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