| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179624 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10BrNO3 |
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| Molecular Mass | 258.9844 |
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| SMILES | COc1ccc(NC(=O)CO)c(Br)c1 |
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| InChI Key | REXJXFHCIDXOOH-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 | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl aryl ethersanisolesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganobromidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethern-arylamidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholbromobenzenecarboxamide groupmethoxybenzenearyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisoleorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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