Ak-toxin i
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Formula: C23H27NO6
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Molecular weight: 413.50
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Smiles: CC(C1=CC=CC=C1)C(C(=O)OC(C=CC=CC=CC(=O)O)C2(CO2)C)NC(=O)C
Ak-toxin i
Names
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Mycotoxin name: Ak-toxin i
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First synonym: Ak-toxin i
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Synonyms: AK-toxin I,AK toxin I,85146-09-4,CHEBI:80727,Q27149778,(2E,4Z,6E)-8-[(2-acetamido-3-phenylbutanoyl)oxy]-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid,N-Acetyl-b-methyl-L-phenylalanine 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester, 9CI
Identifiers / External links
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CAS: 85146-09-4
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PubChem CID: 46173828
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ChemSpiderID: 30791746
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Wikidata (wiki): Q27149778
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Chemical Entities of Biological Interest (CHEBI): CHEBI:80727
Structure
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Smiles: CC(C1=CC=CC=C1)C(C(=O)OC(C=CC=CC=CC(=O)O)C2(CO2)C)NC(=O)C
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Isomeric smiles: CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C2(CO2)C)NC(=O)C
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Inchi: InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+
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Inchikey: HGSOUJPIFSDBKJ-OUYMFVGOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H27NO6
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Molecular weight: 413.50
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Monoisotopic mass: 413.18383758
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Fungi
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Fungi id Species 30 Alternaria alternata