| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:17 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | Nc1c(O)cccc1CCC(=O)CC(=O)C(=O)O |
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| InChI Key | YUAOGPKONFAKLI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-acylpyruvic acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsamino fatty acidsbenzene and substituted derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acid3-acylpyruvic acid1-hydroxy-4-unsubstituted benzenoidamino fatty acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundmedium-chain keto acid |
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