| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:44 UTC |
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| Update Date | 2025-03-21 18:03:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047545 |
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| Frequency | 70.0 |
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| Structure | |
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| Chemical Formula | C12H13BrO7 |
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| Molecular Mass | 347.9845 |
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| SMILES | O=C(O)C1OC(Oc2ccc(Br)cc2)C(O)C(O)C1O |
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| InChI Key | JXGQMTXMLLENJP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl bromidesbeta hydroxy acids and derivativesbromobenzenescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganobromidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbromobenzenehydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholorganobromidehydrocarbon derivativebenzenoidhalobenzenephenoxy compoundaryl bromide |
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