Muscapurpurin
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Formula: C18H14N2O10
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Molecular weight: 418.30
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Smiles: C1C(NC(=CC1=CC=[N+]2C(CC3=C2C(=O)OC(=C3)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O
Muscapurpurin
Names
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Mycotoxin name: Muscapurpurin
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First synonym: Muscapurpurin
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Synonyms: Muscapurpurin,C08563,12624-19-0,(2S)-5-carboxy-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-7-oxo-2,3-dihydropyrano[3,4-b]pyrrol-1-ium-2-carboxylate,CHEBI:7033,DTXSID70474613,Q27107423
Identifiers / External links
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CAS: 12624-19-0
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PubChem CID: 11953911
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DSS TOX CID: DTXCID10425427
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ChemSpiderID: 3679016
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Wikidata (wiki): Q27107423
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Chemical Entities of Biological Interest (CHEBI): CHEBI:7033
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CompTox Chemicals Dashboard (DTXSID): DTXSID70474613
Structure
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Smiles: C1C(NC(=CC1=CC=[N+]2C(CC3=C2C(=O)OC(=C3)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O
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Isomeric smiles: C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=C2C(=O)OC(=C3)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O
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Inchi: InChI=1S/C18H14N2O10/c21-14(22)9-3-7(4-10(19-9)15(23)24)1-2-20-11(16(25)26)5-8-6-12(17(27)28)30-18(29)13(8)20/h1-3,6,10-11H,4-5H2,(H4,21,22,23,24,25,26,27,28)/t10-,11-/m0/s1
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Inchikey: KAUZSNIDLZSFSR-QWRGUYRKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H14N2O10
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Molecular weight: 418.30
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Monoisotopic mass: 418.06484465
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Fungi
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Fungi id Species 65 Amanita muscaria