| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:27 UTC |
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| Update Date | 2025-03-21 18:05:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058492 |
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| Frequency | 54.0 |
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| Structure | |
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| Chemical Formula | C9H9ClO3 |
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| Molecular Mass | 200.024 |
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| SMILES | O=C(O)C(O)Cc1cccc(Cl)c1 |
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| InChI Key | LTPLLXQULCUYHJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | aryl chloridechlorobenzenealcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridealpha-hydroxy acidhydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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