| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:25 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClN2O5 |
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| Molecular Mass | 300.0513 |
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| SMILES | O=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1 |
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| InChI Key | VIYXWQAKZZFIGX-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsanilidesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganochloriden-arylamideorganohalogen compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealpha-amino acid amidetertiary aliphatic aminecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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