Glandicoline b
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Formula: C22H21N5O4
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Molecular weight: 419.40
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Smiles: CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)O)O
Glandicoline b
Names
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Mycotoxin name: Glandicoline b
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First synonym: Glandicoline b
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Synonyms: glandicoline B,Q63396154,DTXSID20894029,CHEBI:134347,(3E,7aS,12aR)-6,12-dihydroxy-3-[(1H-imidazol-4-yl)methylidene]-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
Identifiers / External links
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PubChem CID: 124079399
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DSS TOX CID: DTXCID101324070
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ChemSpiderID: 58837808
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Wikidata (wiki): Q63396154
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Chemical Entities of Biological Interest (CHEBI): CHEBI:134347
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CompTox Chemicals Dashboard (DTXSID): DTXSID20894029
Structure
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Smiles: CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)O)O
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Isomeric smiles: CC(C)(C=C)[C@]12C=C(C(=O)N\3[C@@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)O)O
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Inchi: InChI=1S/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m1/s1
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Inchikey: YEVSOYBNHBOQJZ-GCTRCSCRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H21N5O4
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Molecular weight: 419.40
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Monoisotopic mass: 419.15935417
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Fungi
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Fungi id Species 907 Penicillium roqueforti