Spiroquinazoline
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Formula: C23H19N5O3
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Molecular weight: 413.40
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Smiles: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C6NCC(=O)N6C7=CC=CC=C57)C(=O)N2
Spiroquinazoline
Names
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Mycotoxin name: Spiroquinazoline
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First synonym: Spiroquinazoline
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Synonyms: Spiroquinazoline,CHEMBL515179,UNII-6KQ3QJ08FF,6KQ3QJ08FF,BDBM50292436,UNII-6KQ3QJ08FF component SIIMITFGYHVBGG-FGSBKAERSA-N
Identifiers / External links
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PubChem CID: 10409484
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ChEMBL: CHEMBL515179
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US FDA (UNII): UNII-6KQ3QJ08FF
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Wikidata (wiki): Q3
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Chemical Entities of Biological Interest (CHEBI): CHEBI:202235
Structure
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Smiles: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C6NCC(=O)N6C7=CC=CC=C57)C(=O)N2
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Isomeric smiles: C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15[C@H]6NCC(=O)N6C7=CC=CC=C57)C(=O)N2
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Inchi: InChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1
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Inchikey: SIIMITFGYHVBGG-FGSBKAERSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H19N5O3
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Molecular weight: 413.40
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Monoisotopic mass: 413.14878949
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Fungi
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Fungi id Species 123 Aspergillus flavipes