Deoxyrubroskyrin

  • Formula: C30H22O11

  • Molecular weight: 558.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC(C4C3(C2=O)C5C(C4C6=C(C5=O)C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O

  • Type: Anthraquinoid dimer

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Deoxyrubroskyrin

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

  • Mycotoxin name: Deoxyrubroskyrin

  • First synonym: Chebi:173290

  • Synonyms: CHEBI:173290,8,10,14,18,25,28-hexahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4(9),5,7,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone

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Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC(C4C3(C2=O)C5C(C4C6=C(C5=O)C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)CC(C4C3(C2=O)C5C(C4C6=C(C5=O)C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O

  • Inchi: InChI=1S/C30H22O11/c1-7-3-9-14(10(31)4-7)26(38)21-13(34)6-12(33)20-17-16-19(28(40)22(27(17)39)30(20,21)29(9)41)24(36)15-11(32)5-8(2)23(35)18(15)25(16)37/h3-5,12,17,20,22,27,31,33,36-39H,6H2,1-2H3

  • Inchikey: GJOVYUUFPQQOPS-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H22O11

  • Molecular weight: 558.50

  • Monoisotopic mass: 558.11621151

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