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Aurantioskyrin

  • Formula: C30H18O11

  • Molecular weight: 554.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O)O

  • Type: Anthraquinoid dimer

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Aurantioskyrin

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

Names

  • Mycotoxin name: Aurantioskyrin

  • First synonym: None

  • Synonyms: Aurantioskyrin,18693-31-7,[1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2',4,4',5,5',8-heptahydroxy-7,7'-dimethyl-,DTXSID30171954,KCTDFZBYXBNTSP-UHFFFAOYSA-N

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Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O)O

  • Inchi: InChI=1S/C30H18O11/c1-8-3-10-17(11(31)4-8)28(39)20-15(35)6-13(33)18(23(20)27(10)38)19-14(34)7-16(36)21-24(19)30(41)25-22(29(21)40)12(32)5-9(2)26(25)37/h3-7,31-37H,1-2H3

  • Inchikey: KCTDFZBYXBNTSP-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H18O11

  • Molecular weight: 554.50

  • Monoisotopic mass: 554.08491139

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