| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:02 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O5 |
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| Molecular Mass | 214.059 |
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| SMILES | CC(O)C(O)C(=O)c1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | QLCDWGZHTKZBJE-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 | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacyloinsazacyclic compoundsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonelactamaryl alkyl ketonearomatic heteromonocyclic compoundmonosaccharidepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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