| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:19 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15BrO7 |
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| Molecular Mass | 350.0001 |
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| SMILES | OC(O)C1OC(Oc2ccc(Br)cc2)C(O)C(O)C1O |
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| InChI Key | GGLHIATZERGKCW-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl bromidesbromobenzenescarbonyl hydrateshydrocarbon derivativesmonosaccharidesorganobromidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidebromobenzeneorganohalogen compoundaryl halideoxacyclesaccharideorganic oxygen compoundacetalsecondary alcoholorganobromidehydrocarbon derivativehalobenzenephenoxy compoundoxanearyl bromideorganoheterocyclic compoundorganooxygen compound |
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