Xanthocillin x monomethyl ether
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Formula: C19H14N2O2
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Molecular weight: 302.30
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Smiles: COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)O)[N+]#[C-])[N+]#[C-]
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Type: Diisocyanide
Xanthocillin x monomethyl ether
Names
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Mycotoxin name: Xanthocillin x monomethyl ether
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First synonym: Xanthocillin x monomethyl ether
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Synonyms: Xanthocillin X monomethyl ether,19559-24-1,BRN 4332417,Xanthocillin-X monomethylether,CHEMBL1813660,Ethylene isocyanide, (p-hydroxybenzylidene)(p-methoxybenzylidine)-,4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol,Phenol, 4-(2,3-diisocyano-4-(4-methoxyphenyl)-1,3-butadienyl)- (9CI)
Identifiers / External links
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CAS: 19559-24-1
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PubChem CID: 6441021
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ChEMBL: CHEMBL1813660
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Chemical Entities of Biological Interest (CHEBI): CHEBI:213004
Structure
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Smiles: COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)O)[N+]#[C-])[N+]#[C-]
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Isomeric smiles: COC1=CC=C(C=C1)/C=C(/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-])\[N+]#[C-]
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Inchi: InChI=1S/C19H14N2O2/c1-20-18(12-14-4-8-16(22)9-5-14)19(21-2)13-15-6-10-17(23-3)11-7-15/h4-13,22H,3H3/b18-12-,19-13-
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Inchikey: NIFGBMKUAMIQJA-BKHHGCLFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H14N2O2
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Molecular weight: 302.30
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Monoisotopic mass: 302.105527694
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Fungi
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Fungi id Species 234 Aspergillus sp. 245 Aspergillus sp. No. 208 & No. 98