| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171508 |
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| Frequency | 0.5 |
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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 | CN(C)CCOC(=O)c1ccccc1Br |
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| InChI Key | IMFUROKNMBZSKK-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 2-halobenzoic acids and derivativesamino acids and derivativesaryl bromidesbenzoyl derivativesbromobenzenescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganooxygen compoundsorganopnictogen compoundstrialkylaminesvinylogous halides |
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| Substituents | amino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminebromobenzenehalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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