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Isochromophilone XII

  • Formula: C31H33ClN2O4

  • Molecular weight: 533.10

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1CCC3=CNC4=CC=CC=C43)(C)OC(=O)C)Cl

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Isochromophilone XII

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

Names

  • Mycotoxin name: Isochromophilone XII

  • First synonym: None

  • Synonyms: Isochromophilone XII

Identifiers / External links

Structure

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1CCC3=CNC4=CC=CC=C43)(C)OC(=O)C)Cl

  • Isomeric smiles: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@](C(=O)C2=CN1CCC3=CNC4=CC=CC=C43)(C)OC(=O)C)Cl

  • Inchi: InChI=1S/C31H33ClN2O4/c1-6-19(2)15-20(3)11-12-23-16-25-26(29(36)31(5,38-21(4)35)30(37)28(25)32)18-34(23)14-13-22-17-33-27-10-8-7-9-24(22)27/h7-12,15-19,33H,6,13-14H2,1-5H3/b12-11+,20-15+/t19-,31+/m0/s1

  • Inchikey: AVXDCMBMUQWUII-UXMZRRIFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H33ClN2O4

  • Molecular weight: 533.10

  • Monoisotopic mass: 532.2128852

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Fungi