Musca-aurin-i
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Formula: C14H13N3O8
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Molecular weight: 351.27
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Smiles: C1C(NC(=CC1=CC=NC(C2=CC(=O)NO2)C(=O)O)C(=O)O)C(=O)O
Musca-aurin-i
Names
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Mycotoxin name: Musca-aurin-i
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First synonym: Musca-aurin-i
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Synonyms: Musca-aurin-I,Muscaaurin I,52012-51-8,C08559,CHEBI:7031,Q27107420
Identifiers / External links
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CAS: 52012-51-8
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PubChem CID: 135438595
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ChemSpiderID: 4444623
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Wikidata (wiki): Q27107420
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Chemical Entities of Biological Interest (CHEBI): CHEBI:7031
Structure
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Smiles: C1C(NC(=CC1=CC=NC(C2=CC(=O)NO2)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[C@@H](C2=CC(=O)NO2)C(=O)O)C(=O)O)C(=O)O
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Inchi: InChI=1S/C14H13N3O8/c18-10-5-9(25-17-10)11(14(23)24)15-2-1-6-3-7(12(19)20)16-8(4-6)13(21)22/h1-3,5,8,11,16H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b6-1-,15-2?/t8-,11-/m0/s1
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Inchikey: AVQHQGYBRFPNMT-QHIPCBTGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H13N3O8
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Molecular weight: 351.27
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Monoisotopic mass: 351.07026438
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Fungi
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Fungi id Species 65 Amanita muscaria