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Thielavin j

  • Formula: C29H30O10

  • Molecular weight: 538.50

  • Smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3)C)C(=O)O)O)C)OC)C)O)C)O

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Thielavin j

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

Names

  • Mycotoxin name: Thielavin j

  • First synonym: Thielavin j

  • Synonyms: Thielavin J

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Structure

  • Smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3)C)C(=O)O)O)C)OC)C)O)C)O

  • Isomeric smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3)C)C(=O)O)O)C)OC)C)O)C)O

  • Inchi: InChI=1S/C29H30O10/c1-11-9-18(30)15(5)23(31)21(11)28(35)39-25-14(4)13(3)22(26(37-8)17(25)7)29(36)38-19-10-12(2)20(27(33)34)24(32)16(19)6/h9-10,30-32H,1-8H3,(H,33,34)

  • Inchikey: RLLCMRPOSFZYJJ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H30O10

  • Molecular weight: 538.50

  • Monoisotopic mass: 538.18389715

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