| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:27 UTC |
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| Update Date | 2025-03-21 18:35:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104095 |
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| Frequency | 26.1 |
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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 | COC(=O)C(N)Cc1c[nH]c2ccc(Br)cc12 |
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| InChI Key | WLAQXNVMSYAGLF-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 esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupindoleorganohalogen compoundorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacycleheteroaromatic compoundindole or derivativesaryl halidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrroleorganobromidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromideorganooxygen compound |
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