| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:03 UTC |
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| Update Date | 2025-03-25 01:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17BrO9 |
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| Molecular Mass | 432.0056 |
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| SMILES | COc1cc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1Br |
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| InChI Key | SLKFFXIOOULVKQ-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 | acetalsalkyl aryl ethersanisolesaryl bromidesbeta hydroxy acids and derivativesbromobenzenescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesorganobromidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativesbromobenzenehydroxy acidmethoxybenzenearyl halideoxacyclefatty acid esterpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesorganobromidehydrocarbon derivativebenzenoidhalobenzenephenoxy compoundaryl bromide |
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