| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:24 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181715 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14Cl2O6 |
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| Molecular Mass | 336.0167 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(Oc2cc(Cl)ccc2Cl)C1 |
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| InChI Key | YPHFFBNZKMZJLC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesaryl chloridescarbonyl compoundscarboxylic acidscyclohexanolsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridealpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzene1,4-dichlorobenzenecyclohexanolhydroxy acidaryl halidearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundquinic acid |
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