| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:15 UTC |
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| Update Date | 2025-03-21 18:28:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074755 |
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| Frequency | 39.7 |
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| Structure | |
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| Chemical Formula | C12H13BrN2O2 |
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| Molecular Mass | 296.016 |
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| SMILES | CC(N)(Cc1c[nH]c2ccc(Br)cc12)C(=O)O |
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| InChI Key | AIOWOCFGVJGKMJ-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 heteropolycyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindoleorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromideorganooxygen compound |
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