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Chaetoglobin a

  • Formula: C34H40N2O10

  • Molecular weight: 636.70

  • Smiles: CC(CCCC1=CC2=C(C=N1)C(=O)C(C(=C2C3=C(C(C(=O)C4=C3C=C(N=C4)CCCC(C)O)(C)OC(=O)C)O)O)(C)OC(=O)C)O

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Chaetoglobin a

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

Names

  • Mycotoxin name: Chaetoglobin a

  • First synonym: Chaetoglobin a

  • Synonyms: Chaetoglobin A

Identifiers / External links

Structure

  • Smiles: CC(CCCC1=CC2=C(C=N1)C(=O)C(C(=C2C3=C(C(C(=O)C4=C3C=C(N=C4)CCCC(C)O)(C)OC(=O)C)O)O)(C)OC(=O)C)O

  • Isomeric smiles: C[C@@H](CCCC1=CC2=C(C=N1)C(=O)[C@@](C(=C2C3=C([C@](C(=O)C4=C3C=C(N=C4)CCC[C@H](C)O)(C)OC(=O)C)O)O)(C)OC(=O)C)O

  • Inchi: InChI=1S/C34H40N2O10/c1-17(37)9-7-11-21-13-23-25(15-35-21)29(41)33(5,45-19(3)39)31(43)27(23)28-24-14-22(12-8-10-18(2)38)36-16-26(24)30(42)34(6,32(28)44)46-20(4)40/h13-18,37-38,43-44H,7-12H2,1-6H3/t17-,18-,33+,34+/m0/s1

  • Inchikey: GLEUUGLHBAIYKP-JONZZMSBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H40N2O10

  • Molecular weight: 636.70

  • Monoisotopic mass: 636.26829548

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