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dihydroisoustilaginoidin A

  • Formula: C28H20O10

  • Molecular weight: 516.50

  • Smiles: CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O)O

  • Type: Naphtho-pyrone dimer

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dihydroisoustilaginoidin A

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

Names

  • Mycotoxin name: dihydroisoustilaginoidin A

  • First synonym: None

  • Synonyms: Dihydroisoustilaginoidin A,CHEMBL1094599

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O)O

  • Isomeric smiles: CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O)O

  • Inchi: InChI=1S/C28H20O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3,5-8,10,29,32-36H,4H2,1-2H3

  • Inchikey: IIKCGQWDQVJPMD-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H20O10

  • Molecular weight: 516.50

  • Monoisotopic mass: 516.10564683

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Fungi

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