Cyclotryprostatin B
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Formula: C23H27N3O5
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Molecular weight: 425.50
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Smiles: CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)OC)C5=C(N2)C=C(C=C5)OC)C
Cyclotryprostatin B
Names
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Mycotoxin name: Cyclotryprostatin B
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First synonym: None
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Synonyms: Cyclo-Tryprostatin B,CYCLOTRYPROSTATIN B,CHEMBL2229114,CHEBI:220033,(1S,2S,12S,15S)-1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Identifiers / External links
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PubChem CID: 10788514
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ChemSpiderID: 8963827
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ChEMBL: CHEMBL2229114
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Chemical Entities of Biological Interest (CHEBI): CHEBI:220033
Structure
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Smiles: CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)OC)C5=C(N2)C=C(C=C5)OC)C
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Isomeric smiles: CC(=C[C@H]1C2=C([C@@H]([C@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)OC)C5=C(N2)C=C(C=C5)OC)C
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Inchi: InChI=1S/C23H27N3O5/c1-12(2)10-17-19-18(14-8-7-13(30-3)11-15(14)24-19)20(31-4)23(29)22(28)25-9-5-6-16(25)21(27)26(17)23/h7-8,10-11,16-17,20,24,29H,5-6,9H2,1-4H3/t16-,17-,20-,23-/m0/s1
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Inchikey: DARSEBUZHJPBHI-OSAZLGQLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H27N3O5
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Molecular weight: 425.50
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Monoisotopic mass: 425.19507097
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Fungi
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Fungi id Species 139 Aspergillus fumigatus BM 939