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Thielavin n

  • Formula: C29H30O10

  • Molecular weight: 538.50

  • Smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=CC(=C(C(=C3C)C)C(=O)O)OC)O)C)O)C)O

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Thielavin n

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

  • Mycotoxin name: Thielavin n

  • First synonym: Thielavin n

  • Synonyms: Thielavin N

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=CC(=C(C(=C3C)C)C(=O)O)OC)O)C)O)C)O

  • Isomeric smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=CC(=C(C(=C3C)C)C(=O)O)OC)O)C)O)C)O

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

  • Inchikey: JBTRJGNHONXFCA-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H30O10

  • Molecular weight: 538.50

  • Monoisotopic mass: 538.18389715

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