| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:38 UTC |
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| Update Date | 2025-03-21 18:30:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082891 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C12H13NO7 |
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| Molecular Mass | 283.0692 |
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| SMILES | Nc1c(O)cccc1C(=O)CC(O)(CC(=O)O)C(=O)O |
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| InChI Key | IHPJBLWDDROXDP-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbranched fatty acidsbutyrophenonescarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminestertiary alcoholsvinylogous amides |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholvinylogous amidehydroxy acid1-hydroxy-4-unsubstituted benzenoidamino fatty acidbranched fatty acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundtertiary alcoholketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketonemedium-chain keto acid |
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