| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:25 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9ClN2O3 |
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| Molecular Mass | 252.0302 |
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| SMILES | O=C(O)CNC(=O)c1c[nH]c2cc(Cl)ccc12 |
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| InChI Key | REVGQOYUMZBKEN-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolecarboxamides and derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupindolecarboxamide derivativecarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chlorideindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinearyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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