| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:19 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9ClO4 |
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| Molecular Mass | 216.0189 |
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| SMILES | O=C(O)C(O)Cc1cc(O)ccc1Cl |
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| InChI Key | UKUPJVTVTLLPON-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesp-chlorophenolssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxide4-halophenolaryl chloridechlorobenzenealcohol4-chlorophenolhydroxy acidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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