(3s,4s)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane
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Formula: C13H16O4
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Molecular weight: 236.26
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Smiles: CC(=O)C1=CC2=C(C=C1)OC(C(C2O)O)(C)C
(3s,4s)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane
Names
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Mycotoxin name: (3s,4s)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane
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First synonym: Zinc13305274
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Synonyms: ZINC13305274,(3S,4S)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane,(3S)-6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3beta,4beta-diol
Identifiers / External links
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CAS: 372119-04-5
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PubChem CID: 12084866
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ChemSpiderID: 78440192
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204653
Structure
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Smiles: CC(=O)C1=CC2=C(C=C1)OC(C(C2O)O)(C)C
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Isomeric smiles: CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@H]2O)O)(C)C
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Inchi: InChI=1S/C13H16O4/c1-7(14)8-4-5-10-9(6-8)11(15)12(16)13(2,3)17-10/h4-6,11-12,15-16H,1-3H3/t11-,12-/m0/s1
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Inchikey: AMJRVNUEWFTIFW-RYUDHWBXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H16O4
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Molecular weight: 236.26
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Monoisotopic mass: 236.10485899
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Fungi
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Fungi id Species 388 Coniothyrium minitans