Paspaline b
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Formula: C28H37NO3
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Molecular weight: 435.60
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Smiles: CC12CCC3C(C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)(CCC(O3)C(C)(C)O)C=O
Paspaline b
Names
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Mycotoxin name: Paspaline b
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First synonym: Paspaline b
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Synonyms: Paspaline B,CHEMBL4456894,CHEBI:181376,DTXSID101017683,C20587,(1S,2S,5S,7S,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-10-carbaldehyde,173268-84-3
Identifiers / External links
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CAS: 173268-84-3
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PubChem CID: 10342949
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DSS TOX CID: DTXCID001475862
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ChemSpiderID: 78444547
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ChEMBL: CHEMBL4456894
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Chemical Entities of Biological Interest (CHEBI): CHEBI:181376
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CompTox Chemicals Dashboard (DTXSID): DTXSID101017683
Structure
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Smiles: CC12CCC3C(C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)(CCC(O3)C(C)(C)O)C=O
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Isomeric smiles: C[C@]12CC[C@H]3[C@]([C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)(CC[C@H](O3)C(C)(C)O)C=O
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Inchi: InChI=1S/C28H37NO3/c1-25(2,31)22-12-14-28(16-30)21-10-9-17-15-19-18-7-5-6-8-20(18)29-24(19)27(17,4)26(21,3)13-11-23(28)32-22/h5-8,16-17,21-23,29,31H,9-15H2,1-4H3/t17-,21+,22-,23-,26-,27+,28+/m0/s1
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Inchikey: AYNSNFZADBZRGD-QEXKWOBCSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H37NO3
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Molecular weight: 435.60
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Monoisotopic mass: 435.27734404
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Fungi
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Fungi id Species 883 Penicillium paxilli