xylariamide a
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Formula: C14H14ClNO6
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Molecular weight: 327.71
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Smiles: COC(=O)C=CC(=O)NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O
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Type: Amino acid
xylariamide a
Names
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Mycotoxin name: xylariamide a
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First synonym: (-)-xylariamide a
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Synonyms: (-)-xylariamide A,cxl017,CHEMBL463133,(?)-Xylariamide A,BDBM50339590,ZINC13347543,(R)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-4-oxobut-2-enamido)propanoic acid,(2R)-3-(3-chloro-4-hydroxy-phenyl)-2-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid
Identifiers / External links
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CAS: 1318166-37-8,853259-88-8
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PubChem CID: 11290362
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ChemSpiderID: 9465348
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ChEMBL: CHEMBL463133
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200317
Structure
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Smiles: COC(=O)C=CC(=O)NC(CC1=CC(=C(C=C1)O)Cl)C(=O)O
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Isomeric smiles: COC(=O)/C=C/C(=O)N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O
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Inchi: InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m1/s1
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Inchikey: KCOKHEIACSQLBQ-ORAHPGNNSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H14ClNO6
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Molecular weight: 327.71
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Monoisotopic mass: 327.0509649
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Fungi
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Fungi id Species 1188 Xylaria sp.