| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:40 UTC |
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| Update Date | 2025-03-21 18:39:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123872 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C11H11BrN2O2 |
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| Molecular Mass | 282.0004 |
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| SMILES | NC(Cc1c[nH]c2cccc(Br)c12)C(=O)O |
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| InChI Key | OFKIVYVSESEHFZ-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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