12,13-epoxy-9-trichothecene-3,7,8,15-tetrol
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Formula: C15H22O6
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Molecular weight: 298.33
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Smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)O)C)CO
12,13-epoxy-9-trichothecene-3,7,8,15-tetrol
Names
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Mycotoxin name: 12,13-epoxy-9-trichothecene-3,7,8,15-tetrol
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First synonym: 3,7,8,15-scirpenetetrol
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Synonyms: 3,7,8,15-Scirpenetetrol,CHEBI:174839,12,13-Epoxy-9-trichothecene-3,7,8,15-tetrol,2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,4,10-triol
Identifiers / External links
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PubChem CID: 14587765
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ChemSpiderID: 35014432
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Chemical Entities of Biological Interest (CHEBI): CHEBI:174839
Structure
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Smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)O)C)CO
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Isomeric smiles: CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)O)C)CO
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Inchi: InChI=1S/C15H22O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
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Inchikey: QNKGXSIDHDDDHD-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H22O6
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Molecular weight: 298.33
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Monoisotopic mass: 298.14163842
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Fungi
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Fungi id Species 535 Fusarium graminearum