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Epoxyfumitremorgin C

  • Formula: C22H23N3O4

  • Molecular weight: 393.40

  • Smiles: CC(=CC1C2=C(C3C4(N1C(=O)C5CCCN5C4=O)O3)C6=C(N2)C=C(C=C6)OC)C

  • Type: Indole

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Epoxyfumitremorgin C

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

Names

  • Mycotoxin name: Epoxyfumitremorgin C

  • First synonym: None

  • Synonyms: Epoxyfumitremorgin C,CHEBI:189779,8-methoxy-13-(2-methylprop-1-enyl)-2-oxa-11,14,20-triazahexacyclo[12.7.0.01,3.04,12.05,10.016,20]henicosa-4(12),5(10),6,8-tetraene-15,21-dione

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Structure

  • Smiles: CC(=CC1C2=C(C3C4(N1C(=O)C5CCCN5C4=O)O3)C6=C(N2)C=C(C=C6)OC)C

  • Isomeric smiles: CC(=CC1C2=C(C3C4(N1C(=O)C5CCCN5C4=O)O3)C6=C(N2)C=C(C=C6)OC)C

  • Inchi: InChI=1S/C22H23N3O4/c1-11(2)9-16-18-17(13-7-6-12(28-3)10-14(13)23-18)19-22(29-19)21(27)24-8-4-5-15(24)20(26)25(16)22/h6-7,9-10,15-16,19,23H,4-5,8H2,1-3H3

  • Inchikey: XBJWPHYIDCHMPQ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H23N3O4

  • Molecular weight: 393.40

  • Monoisotopic mass: 393.16885622

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