| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:46 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9Cl2NO3 |
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| Molecular Mass | 260.9959 |
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| SMILES | COC(=O)CNC(=O)c1ccc(Cl)cc1Cl |
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| InChI Key | NJNFJGGLRAIOEN-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 | 2-halobenzoic acids and derivatives4-halobenzoic acids and derivativesalpha amino acid estersalpha amino acidsaryl chloridesbenzoyl derivativescarbonyl compoundsdichlorobenzeneshippuric acids and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous halides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochloridebenzoylorganohalogen compoundbenzamide1,3-dichlorobenzeneorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenealpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupvinylogous haliden-acylglycine2-halobenzoic acid or derivativesaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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