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Trichodermamide b

  • Formula: C20H19ClN2O8

  • Molecular weight: 450.80

  • Smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NOC4C(C=CC(C4(C3)O)Cl)O)OC

  • Type: Dipeptide

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Trichodermamide b

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

Names

  • Mycotoxin name: Trichodermamide b

  • First synonym: Trichodermamide b

  • Synonyms: Trichodermamide B,CHEMBL259112

Identifiers / External links

Structure

  • Smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NOC4C(C=CC(C4(C3)O)Cl)O)OC

  • Isomeric smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NO[C@H]4[C@@H](C=C[C@H]([C@]4(C3)O)Cl)O)OC

  • Inchi: InChI=1S/C20H19ClN2O8/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)22-18(25)11-8-20(27)14(21)6-4-12(24)17(20)31-23-11/h3-7,12,14,17,24,27H,8H2,1-2H3,(H,22,25)/t12-,14-,17+,20+/m1/s1

  • Inchikey: ROOWAKADKHUVSQ-OVCSSCHWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H19ClN2O8

  • Molecular weight: 450.80

  • Monoisotopic mass: 450.0829933

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