| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:57 UTC |
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| Update Date | 2025-03-21 17:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010733 |
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| Frequency | 444.6 |
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| Structure | |
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| Chemical Formula | C11H12BrN3O |
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| Molecular Mass | 281.0164 |
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| SMILES | NC(=O)C(N)Cc1c[nH]c2ccc(Br)cc12 |
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| InChI Key | LBZNSCUOWPUQRL-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 acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrroles |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupindolefatty amideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxamide grouparyl halideorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromideorganooxygen compound |
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