Dehydroxypaxilline
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Formula: C27H33NO3
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Molecular weight: 419.60
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Smiles: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C
Dehydroxypaxilline
Names
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Mycotoxin name: Dehydroxypaxilline
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First synonym: 13-desoxypaxilline
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Synonyms: 13-Desoxypaxilline,DEHYDROXYPAXILLINE,13-Deoxypaxilline,13-dehydroxypaxilline,CHEMBL2408948,CHEBI:187070,C20531,(1S,2S,5S,7R,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-9,16(24),17,19,21-pentaen-8-one
Identifiers / External links
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CAS: 112900-05-7
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PubChem CID: 14166134
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ChemSpiderID: 10270586
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ChEMBL: CHEMBL2408948
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Chemical Entities of Biological Interest (CHEBI): CHEBI:187070
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CompTox Chemicals Dashboard (DTXSID): DTXSID901099217
Structure
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Smiles: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C
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Isomeric smiles: C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C
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Inchi: InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1
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Inchikey: GYSZYWSJZCKCBD-LXGUAGHKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C27H33NO3
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Molecular weight: 419.60
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Monoisotopic mass: 419.24604391
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Fungi
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Fungi id Species 473 Emericella striata