| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:31 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248268 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | Cc1cccc(C(=O)CC(O)CC(=O)O)c1N |
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| InChI Key | VVLSLJNYXDZINW-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 | amino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholstoluenesvinylogous amides |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylfatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholvinylogous amidehydroxy acidamino fatty acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundtolueneaminealkyl-phenylketone |
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