| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:15 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO5 |
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| Molecular Mass | 237.0637 |
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| SMILES | CC(C(=O)O)C(=O)C(=O)c1cccc(O)c1N |
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| InChI Key | RIHMTBHGJGWJEN-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 | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-diketonesamino acidsaryl ketonesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amide1-hydroxy-4-unsubstituted benzenoidalpha-diketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativeprimary amineorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compoundaryl ketone |
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