Isoneosolaniol
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Formula: C19H26O8
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Molecular weight: 382.40
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Smiles: CC1=CC2C(CC1OC(=O)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO
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Type: Trichothecene
Isoneosolaniol
Names
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Mycotoxin name: Isoneosolaniol
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First synonym: 4,8-diacetyl-t2-tetrol
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Synonyms: 4,8-Diacetyl-T2-tetrol,Toxin NT 1,Toxin NT-1,Isoneosolaniol,Toxin T1,NT 1 Toxin,Toxin T 1,NT 1,CHEBI:175886,[11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Identifiers / External links
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CAS: 65180-29-2
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PubChem CID: 10022771
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ChemSpiderID: 8198344
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ChEMBL: CHEMBL152525
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US FDA (UNII): UNII-GXO6938TH1
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Chemical Entities of Biological Interest (CHEBI): CHEBI:175886
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CompTox Chemicals Dashboard (DTXSID): DTXSID30983756
Structure
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Smiles: CC1=CC2C(CC1OC(=O)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO
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Isomeric smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO
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Inchi: InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1
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Inchikey: UROCTWOJYLMRHO-WVJYZQHISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H26O8
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Molecular weight: 382.40
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Monoisotopic mass: 382.16276778
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Fungi
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Fungi id Species 578 Fusarium sporotrichioides 580 Fusarium tricinctum