| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:34 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186635 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6 |
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| Molecular Mass | 255.0743 |
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| SMILES | Nc1ccc(O)cc1C(=O)CC(O)(CO)C(=O)O |
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| InChI Key | MQQXXUMIULZWMR-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminestertiary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidehydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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