| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:31 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12ClNO4 |
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| Molecular Mass | 269.0455 |
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| SMILES | NC(CC(=O)C=Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | MLMUOYYABKACSX-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalpha amino acidsaryl chloridescarbocyclic fatty acidscarboxylic acidschlorobenzenesenonesfatty acylsgamma-keto acids and derivativeshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidenonearyl chloride2-chlorophenolchlorobenzenehalogenated fatty acidhydroxycinnamic acidaryl halidegamma-keto acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compoundmedium-chain keto acid |
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