Isotrichodermin
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Formula: C17H24O4
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Molecular weight: 292.40
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Smiles: CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)C
Isotrichodermin
Names
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Mycotoxin name: Isotrichodermin
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First synonym: Isotrichodermin
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Synonyms: Isotrichodermin,12,13-Epoxy-trichothec-9-ene-3-ol acetate,12,13-Epoxy-acetate(3alpha)-Tichothec-9-en-3-ol,Q35983264
Identifiers / External links
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CAS: 91423-90-4
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PubChem CID: 14733836
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ChemSpiderID: 110985
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ChEMBL: CHEMBL19971568
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Wikidata (wiki): Q35983264
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CompTox Chemicals Dashboard (DTXSID): DTXSID60919740
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SCHEMBL: SCHEMBL19971568
Structure
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Smiles: CC1=CC2C(CC1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)C
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Isomeric smiles: CC1=C[C@@H]2[C@](CC1)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)C
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Inchi: InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16?,17?/m1/s1
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Inchikey: OZXJPPYWZVBMGW-DJXIOKRSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H24O4
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Molecular weight: 292.40
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Monoisotopic mass: 292.16745924
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Fungi
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Fungi id Species 554 Fusarium roseum