Cyclonerodiol
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Formula: C15H28O2
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Molecular weight: 240.38
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Smiles: CC1C(CCC1(C)O)C(C)(CCC=C(C)C)O
Cyclonerodiol
Names
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Mycotoxin name: Cyclonerodiol
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First synonym: Cyclonerodiol
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Synonyms: Cyclonerodiol,28834-06-2,DTXSID80183022,(1R,2S,3R)-3-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,2-dimethylcyclopentan-1-ol,Cyclopentanemethanol, 3-hydroxy-alpha,2,3-trimethyl-alpha-(4-methyl-3-pentenyl)-, (1R-(1alpha(R*),2beta,3beta))-
Identifiers / External links
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CAS: 28834-06-2
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PubChem CID: 168840
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DSS TOX CID: DTXCID90105513
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ChemSpiderID: 147691
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US FDA (UNII): UNII-4ZP8FLH4RC
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Chemical Entities of Biological Interest (CHEBI): CHEBI:197613
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CompTox Chemicals Dashboard (DTXSID): DTXSID80183022
Structure
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Smiles: CC1C(CCC1(C)O)C(C)(CCC=C(C)C)O
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Isomeric smiles: C[C@H]1[C@@H](CC[C@@]1(C)O)[C@@](C)(CCC=C(C)C)O
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Inchi: InChI=1S/C15H28O2/c1-11(2)7-6-9-15(5,17)13-8-10-14(4,16)12(13)3/h7,12-13,16-17H,6,8-10H2,1-5H3/t12-,13+,14+,15+/m0/s1
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Inchikey: ZBJPVPFEDGYYBD-GBJTYRQASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H28O2
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Molecular weight: 240.38
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Monoisotopic mass: 240.208930132
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Fungi
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Fungi id Species 530 Fusarium culmorum