Tc3 toxin
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Formula: C22H32O9
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Molecular weight: 440.50
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Smiles: CC1=CC2C(CC1OC(=O)CC(C)(C)O)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
Tc3 toxin
Names
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Mycotoxin name: Tc3 toxin
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First synonym: 3'-hydroxy-ht2 toxin
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Synonyms: 3'-Hydroxy-HT2 toxin,TC3 toxin,Toxin TC 3,CHEBI:172679,[2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-hydroxy-3-methylbutanoate
Identifiers / External links
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CAS: 78368-54-4
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PubChem CID: 75069422
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ChEMBL: CHEMBL486001
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US FDA (UNII): UNII-NAE258M59Q
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Wikidata (wiki): Q27896356
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Chemical Entities of Biological Interest (CHEBI): CHEBI:172679
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CompTox Chemicals Dashboard (DTXSID): DTXSID501021333
Structure
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Smiles: CC1=CC2C(CC1OC(=O)CC(C)(C)O)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
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Isomeric smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C
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Inchi: InChI=1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22-/m0/s1
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Inchikey: OJBCMLLFVXXDGS-QDSVCGCGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H32O9
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Molecular weight: 440.50
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Monoisotopic mass: 440.20463259
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Fungi
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Fungi id Species 536 Fusarium heterosporum