Gliocladin C
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Formula: C22H16N4O3
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Molecular weight: 384.40
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Smiles: CN1C(=O)C2=CC3(C(N2C(=O)C1=O)NC4=CC=CC=C43)C5=CNC6=CC=CC=C65
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Type: Epipolythiopiperazine-3,6-dione
Gliocladin C
Names
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Mycotoxin name: Gliocladin C
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First synonym: None
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Synonyms: Gliocladin C,(1R,9S)-9-(1H-indol-3-yl)-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,4,6-trione,(1R,9S)-9-(1H-indol-3-yl)-5-methyl-2,5,16-triazatetracyclo(7.7.0.02,7.010,15)hexadeca-7,10,12,14-tetraene-3,4,6-trione,MLS004682186,SCHEMBL15856788,CHEBI:216307,NCGC00488694-01,749216-47-5,SMR003453336,(5aR,10bS)-10b-(1H-indol-3-yl)-2-methyl-5a,6-dihydro-1H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,3,4(2H,10bH)-trione
Identifiers / External links
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CAS: 749216-47-5
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PubChem CID: 11740730
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ChemSpiderID: 9915437
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ChEMBL: CHEMBL15856788
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Chemical Entities of Biological Interest (CHEBI): CHEBI:216307
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SCHEMBL: SCHEMBL15856788
Structure
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Smiles: CN1C(=O)C2=CC3(C(N2C(=O)C1=O)NC4=CC=CC=C43)C5=CNC6=CC=CC=C65
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Isomeric smiles: CN1C(=O)C2=C[C@]3([C@@H](N2C(=O)C1=O)NC4=CC=CC=C43)C5=CNC6=CC=CC=C65
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Inchi: InChI=1S/C22H16N4O3/c1-25-18(27)17-10-22(14-11-23-15-8-4-2-6-12(14)15)13-7-3-5-9-16(13)24-21(22)26(17)20(29)19(25)28/h2-11,21,23-24H,1H3/t21-,22-/m1/s1
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Inchikey: ZGZLUDDEYVIROA-FGZHOGPDSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H16N4O3
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Molecular weight: 384.40
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Monoisotopic mass: 384.12224039
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Fungi
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Fungi id Species