Jesterone
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Formula: C15H20O4
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Molecular weight: 264.32
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Smiles: CC=CC1=C(C(C2C(C1=O)(O2)CC=C(C)C)O)CO
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Type: Benzopyran
Jesterone
Names
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Mycotoxin name: Jesterone
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First synonym: None
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Synonyms: Jesterone,(1R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-1-(3-methylbut-2-enyl)-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one,(1R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-1-(3-methylbut-2-enyl)-3-((E)-prop-1-enyl)-7-oxabicyclo(4.1.0)hept-3-en-2-one,CHEBI:212553,349081-09-0
Identifiers / External links
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CAS: 349081-09-0
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PubChem CID: 10515747
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ChemSpiderID: 8691148
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Chemical Entities of Biological Interest (CHEBI): CHEBI:212553
Structure
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Smiles: CC=CC1=C(C(C2C(C1=O)(O2)CC=C(C)C)O)CO
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Isomeric smiles: C/C=C/C1=C([C@@H]([C@@H]2[C@](C1=O)(O2)CC=C(C)C)O)CO
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Inchi: InChI=1S/C15H20O4/c1-4-5-10-11(8-16)12(17)14-15(19-14,13(10)18)7-6-9(2)3/h4-6,12,14,16-17H,7-8H2,1-3H3/b5-4+/t12-,14+,15-/m0/s1
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Inchikey: IIGGBGHNVOFBQW-ZQUADUEKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H20O4
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Molecular weight: 264.32
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Monoisotopic mass: 264.13615911
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Fungi
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Fungi id Species