| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:29 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 | DMID00123464 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C11H14BrNO2 |
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| Molecular Mass | 271.0208 |
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| SMILES | CC(=O)NCCC(O)c1ccc(Br)cc1 |
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| InChI Key | WTJKLZJIYHJKSL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesaromatic alcoholsaryl bromidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealcoholbromobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativeorganic nitrogen compoundaryl bromideorganooxygen compound |
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