| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:25 UTC |
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| Update Date | 2025-03-21 18:33:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096610 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C8H7ClO3 |
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| Molecular Mass | 186.0084 |
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| SMILES | O=C(O)C(O)c1ccc(Cl)cc1 |
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| InChI Key | BWSFWXSSALIZAU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsaryl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridechlorobenzenealcoholcarbonyl groupcarboxylic acidorganochloridealpha-hydroxy acidhydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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