5-Chloro-6-hydroxymellein
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Formula: C10H9ClO4
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Molecular weight: 228.63
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Smiles: CC1CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1
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Type: Isocoumarin
5-Chloro-6-hydroxymellein
Names
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Mycotoxin name: 5-Chloro-6-hydroxymellein
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First synonym: None
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Synonyms: 5-Chloro-6-hydroxymellein,(3R)-5-chloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one,CHEBI:213940
Identifiers / External links
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PubChem CID: 10561363
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ChemSpiderID: 8736751
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Chemical Entities of Biological Interest (CHEBI): CHEBI:213940
Structure
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Smiles: CC1CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1
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Isomeric smiles: C[C@@H]1CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1
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Inchi: InChI=1S/C10H9ClO4/c1-4-2-5-8(10(14)15-4)6(12)3-7(13)9(5)11/h3-4,12-13H,2H2,1H3/t4-/m1/s1
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Inchikey: MKFJHHDROMDROC-SCSAIBSYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C10H9ClO4
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Molecular weight: 228.63
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Monoisotopic mass: 228.0189365
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Fungi
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Fungi id Species