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Xanthocillin y2

  • Formula: C18H12N2O4

  • Molecular weight: 320.30

  • Smiles: [C-]#[N+]C(=CC1=CC(=C(C=C1)O)O)C(=CC2=CC(=C(C=C2)O)O)[N+]#[C-]

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Xanthocillin y2

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

  • Mycotoxin name: Xanthocillin y2

  • First synonym: Xanthocillin y 2

  • Synonyms: Xanthocillin Y 2,xanthocillin y2,UNII-E47845SU80,E47845SU80,12705-20-3,4-[(1Z,3Z)-4-(3,4-dihydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol,38965-70-7,Brevicide Y2,Brevicid Y2,BRN 4160673,4,4'-(2,3-Diisocyano-1,3-butadiene-1,4-diyl)bis-1,2-benzenediol,SCHEMBL13004046,1,2-Benzenediol, 4,4'-(2,3-diisocyano-1,3-butadiene-1,4-diyl)bis-,Q27276854,UNII-EX637I77PC component ZKYALRSZGHMWMS-PVRNWPCDSA-N

Identifiers / External links

Structure

  • Smiles: [C-]#[N+]C(=CC1=CC(=C(C=C1)O)O)C(=CC2=CC(=C(C=C2)O)O)[N+]#[C-]

  • Isomeric smiles: [C-]#[N+]/C(=C\C1=CC(=C(C=C1)O)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-]

  • Inchi: InChI=1S/C18H12N2O4/c1-19-13(7-11-3-5-15(21)17(23)9-11)14(20-2)8-12-4-6-16(22)18(24)10-12/h3-10,21-24H/b13-7-,14-8-

  • Inchikey: ZKYALRSZGHMWMS-PVRNWPCDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H12N2O4

  • Molecular weight: 320.30

  • Monoisotopic mass: 320.07970687

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