Aspinonediol
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Formula: C9H14O3
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Molecular weight: 170.21
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Smiles: CC(C=C(CO)C=CC(=O)C)O
Aspinonediol
Names
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Mycotoxin name: Aspinonediol
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First synonym: Aspinonediol
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Synonyms: aspinonediol,CHEMBL399444,(3E,5Z,7S)-7-Hydroxy-5-(hydroxymethyl)-3,5-octadiene-2-one
Identifiers / External links
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CAS: 960069-60-7
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PubChem CID: 24762997
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ChemSpiderID: 23076708
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ChEMBL: CHEMBL399444
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207812
Structure
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Smiles: CC(C=C(CO)C=CC(=O)C)O
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Isomeric smiles: C[C@@H](/C=C(\CO)/C=C/C(=O)C)O
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Inchi: InChI=1S/C9H14O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,8,10,12H,6H2,1-2H3/b4-3+,9-5-/t8-/m0/s1
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Inchikey: KZEYOZKGIDUZLU-QLNVLWNGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C9H14O3
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Molecular weight: 170.21
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Monoisotopic mass: 170.094294304
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Fungi
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Fungi id Species 202 Aspergillus ostianus strain 01F313