| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:19 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClN2O4 |
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| Molecular Mass | 258.0407 |
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| SMILES | COc1cc(N)c(Cl)cc1C(=O)NCC(=O)O |
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| InChI Key | LNQXFAOBVQSPCZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acids and derivativesalkyl aryl ethersalpha amino acidsamino acidsanisolesaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acidschlorobenzeneshippuric acids and derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid3-halobenzoic acid or derivativesorganochloridebenzoylalkyl aryl etherorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenehippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupmethoxybenzenen-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
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