Fumisoquin a
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Formula: C13H16N2O5
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Molecular weight: 280.28
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Smiles: C1C(C2C(C3=C(CN2C(=O)C1N)C(=C(C=C3)O)O)O)O
Fumisoquin a
Names
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Mycotoxin name: Fumisoquin a
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First synonym: Fumisoquin a
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Synonyms: Fumisoquin A,(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1,2,3,6,11,11a-hexahydro-4H-pyrido[1,2-b]isoquinolin-4-one,CHEBI:167211,(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1H,2H,3H,4H,6H,11H,11aH-pyrido[1,2-b]isoquinolin-4-one
Identifiers / External links
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PubChem CID: 118796941
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ChemSpiderID: 78443694
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Chemical Entities of Biological Interest (CHEBI): CHEBI:167211
Structure
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Smiles: C1C(C2C(C3=C(CN2C(=O)C1N)C(=C(C=C3)O)O)O)O
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Isomeric smiles: C1[C@@H]([C@@H]2[C@@H](C3=C(CN2C(=O)[C@H]1N)C(=C(C=C3)O)O)O)O
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Inchi: InChI=1S/C13H16N2O5/c14-7-3-9(17)10-12(19)5-1-2-8(16)11(18)6(5)4-15(10)13(7)20/h1-2,7,9-10,12,16-19H,3-4,14H2/t7-,9-,10+,12+/m0/s1
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Inchikey: DGLVASJKYCTLGR-QAHWYCSRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H16N2O5
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Molecular weight: 280.28
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Monoisotopic mass: 280.10592162
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Fungi
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Fungi id Species 134 Aspergillus fumigatus