Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:25:30 UTC |
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Update Date | 2025-03-21 18:38:59 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00123499 |
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Frequency | 20.9 |
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Structure | |
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Chemical Formula | C11H10BrNO3 |
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Molecular Mass | 282.9844 |
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SMILES | O=C(O)CNC(=O)C=Cc1ccc(Br)cc1 |
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InChI Key | NYSAMAATYUOZFV-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 homomonocyclic compounds |
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Alternative Parents | alpha amino acidsaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidscinnamic acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganohalogen compoundcinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbromobenzenecarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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