Desmethyltryprostatin a
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Formula: C21H25N3O3
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Molecular weight: 367.40
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Smiles: CC(=CCC1=C(C2=C(N1)C=C(C=C2)O)CC3C(=O)N4CCCC4C(=O)N3)C
Desmethyltryprostatin a
Names
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Mycotoxin name: Desmethyltryprostatin a
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First synonym: 6-hydroxytryprostatin b
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Synonyms: 6-hydroxytryprostatin B,desmethyltryprostatin A,(3S,8aS)-3-((6-Hydroxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl)methyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione,(3S,8aS)-3-{[6-hydroxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione,6-hydroxytryprostatin,CHEMBL3884295,CHEBI:72762,C20513,Q27140128
Identifiers / External links
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PubChem CID: 71296150
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ChemSpiderID: 28540408
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ChEMBL: CHEMBL3884295,CHEMBL24925805
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Wikidata (wiki): Q27140128
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Chemical Entities of Biological Interest (CHEBI): CHEBI:72762
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SCHEMBL: SCHEMBL24925805
Structure
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Smiles: CC(=CCC1=C(C2=C(N1)C=C(C=C2)O)CC3C(=O)N4CCCC4C(=O)N3)C
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Isomeric smiles: CC(=CCC1=C(C2=C(N1)C=C(C=C2)O)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C
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Inchi: InChI=1S/C21H25N3O3/c1-12(2)5-8-16-15(14-7-6-13(25)10-17(14)22-16)11-18-21(27)24-9-3-4-19(24)20(26)23-18/h5-7,10,18-19,22,25H,3-4,8-9,11H2,1-2H3,(H,23,26)/t18-,19-/m0/s1
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Inchikey: CBQDILZSSFDSDL-OALUTQOASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H25N3O3
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Molecular weight: 367.40
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Monoisotopic mass: 367.18959167
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Fungi
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Fungi id Species 136 Aspergillus fumigatus Af293