| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:39 UTC |
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| Update Date | 2025-03-21 18:35:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104579 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C8H7BrO2 |
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| Molecular Mass | 213.9629 |
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| SMILES | COC(=O)c1ccc(Br)cc1 |
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| InChI Key | CZNGTXVOZOWWKM-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 | 4-halobenzoic acids and derivativesaryl bromidesbenzoyl derivativesbromobenzeneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganooxygen compounds |
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| Substituents | benzoylbromobenzenebenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganobromidehydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
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