| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:34 UTC |
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| Update Date | 2025-03-25 00:48:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClN2O3 |
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| Molecular Mass | 268.0615 |
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| SMILES | CC1NC(=O)C(Cc2ccc(O)c(Cl)c2)NC1=O |
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| InChI Key | XHNMMOLJCYFHBN-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2,5-dioxopiperazinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativeslactamso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundorganochloride1-hydroxy-2-unsubstituted benzenoid2,5-dioxopiperazineorganohalogen compoundorganic oxidedioxopiperazinepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzeneazacyclecarboxamide grouparyl halide2-halophenolsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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