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Isochromophilone x

  • Formula: C27H32ClNO7

  • Molecular weight: 518.00

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1CCO)(C)OC(=O)C=C(C)CC(=O)O)Cl

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Isochromophilone x

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

Names

  • Mycotoxin name: Isochromophilone x

  • First synonym: Isochromophilone x

  • Synonyms: Isochromophilone X

Identifiers / External links

Structure

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1CCO)(C)OC(=O)C=C(C)CC(=O)O)Cl

  • Isomeric smiles: CCC(C)/C=C(\C)/C=CC1=CC2=C(C(=O)[C@@](C(=O)C2=CN1CCO)(C)OC(=O)/C=C(\C)/CC(=O)O)Cl

  • Inchi: InChI=1S/C27H32ClNO7/c1-6-16(2)11-17(3)7-8-19-14-20-21(15-29(19)9-10-30)25(34)27(5,26(35)24(20)28)36-23(33)13-18(4)12-22(31)32/h7-8,11,13-16,30H,6,9-10,12H2,1-5H3,(H,31,32)/b8-7?,17-11+,18-13+/t16?,27-/m0/s1

  • Inchikey: ZRVRVSKUBHAMCG-KZIBRQSFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H32ClNO7

  • Molecular weight: 518.00

  • Monoisotopic mass: 517.1867301

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