Musca-aurin vii
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Formula: C15H16N4O6
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Molecular weight: 348.31
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Smiles: C1C(N=C(C=C1C=C[N+]2=CNC(=C2)CC(C(=O)[O-])N)C(=O)O)C(=O)O
Musca-aurin vii
Names
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Mycotoxin name: Musca-aurin vii
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First synonym: Musca-aurin vii
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Synonyms: Musca-aurin VII,Q27107419
Identifiers / External links
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CAS: 81943-08-0
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PubChem CID: 441632
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DSS TOX CID: DTXCID90365938
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ChemSpiderID: 4444625
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Wikidata (wiki): Q27107419
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Chemical Entities of Biological Interest (CHEBI): CHEBI:7030
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CompTox Chemicals Dashboard (DTXSID): DTXSID30415087
Structure
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Smiles: C1C(N=C(C=C1C=C[N+]2=CNC(=C2)CC(C(=O)[O-])N)C(=O)O)C(=O)O
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Isomeric smiles: C1[C@H](N=C(C=C1/C=C/[N+]2=CNC(=C2)C[C@@H](C(=O)[O-])N)C(=O)O)C(=O)O
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Inchi: InChI=1S/C15H16N4O6/c16-10(13(20)21)5-9-6-19(7-17-9)2-1-8-3-11(14(22)23)18-12(4-8)15(24)25/h1-3,6-7,10,12H,4-5,16H2,(H3,20,21,22,23,24,25)/b2-1+/t10-,12-/m0/s1
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Inchikey: OROLDOQHKPWCGQ-INISDOFMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H16N4O6
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Molecular weight: 348.31
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Monoisotopic mass: 348.10698424
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Fungi
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Fungi id Species 65 Amanita muscaria