| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:38 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10Cl2N2O3 |
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| Molecular Mass | 276.0068 |
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| SMILES | O=C(O)CNCC(=O)Nc1c(Cl)cccc1Cl |
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| InChI Key | REJDJFCZKVZCLL-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 acidsdialkylaminesdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganochloriden-arylamideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenesecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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