Tryptoquivaline h
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Formula: C22H18N4O5
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Molecular weight: 418.40
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Smiles: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62
Tryptoquivaline h
Names
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Mycotoxin name: Tryptoquivaline h
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First synonym: Tryptoquivaline h
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Synonyms: Tryptoquivaline H,Fumitremorgin H,61949-67-5
Identifiers / External links
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CAS: 61949-67-5
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PubChem CID: 188425
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Chemical Entities of Biological Interest (CHEBI): CHEBI:210029
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CompTox Chemicals Dashboard (DTXSID): DTXSID20977447
Structure
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Smiles: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62
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Isomeric smiles: C[C@H]1C(=O)N2[C@@H](N1O)[C@]3(C[C@H](C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62
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Inchi: InChI=1S/C22H18N4O5/c1-12-18(27)25-16-9-5-3-7-14(16)22(21(25)26(12)30)10-17(20(29)31-22)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22-/m0/s1
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Inchikey: LSEZQEFBFFRCNW-TYTLQBBQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H18N4O5
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Molecular weight: 418.40
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Monoisotopic mass: 418.12771969
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Fungi
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Fungi id Species 134 Aspergillus fumigatus