7(14)-bisabolene-2,3,10,11-tetrol
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Formula: C15H28O4
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Molecular weight: 272.38
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Smiles: CC1(CCC(CC1O)C(=C)CCC(C(C)(C)O)O)O
7(14)-bisabolene-2,3,10,11-tetrol
Names
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Mycotoxin name: 7(14)-bisabolene-2,3,10,11-tetrol
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First synonym: 7(14)-bisabolene-2,3,10,11-tetrol
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Synonyms: 7(14)-Bisabolene-2,3,10,11-tetrol,CHEBI:172510,4-(5,6-DIHYDROXY-6-METHYLHEPT-1-EN-2-YL)-1-METHYLCYCLOHEXANE-1,2-DIOL
Identifiers / External links
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CAS: 122470-42-2
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PubChem CID: 73816843
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ChemSpiderID: 35014049
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Chemical Entities of Biological Interest (CHEBI): CHEBI:172510
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CompTox Chemicals Dashboard (DTXSID): DTXSID901145888
Structure
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Smiles: CC1(CCC(CC1O)C(=C)CCC(C(C)(C)O)O)O
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Isomeric smiles: CC1(CCC(CC1O)C(=C)CCC(C(C)(C)O)O)O
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Inchi: InChI=1S/C15H28O4/c1-10(5-6-12(16)14(2,3)18)11-7-8-15(4,19)13(17)9-11/h11-13,16-19H,1,5-9H2,2-4H3
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Inchikey: DIVJRNQAZRYCIO-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H28O4
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Molecular weight: 272.38
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Monoisotopic mass: 272.19875937
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Fungi
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Fungi id Species 556 Fusarium sambucinum