| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:49 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO5 |
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| Molecular Mass | 269.1263 |
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| SMILES | CC(CC(O)C(N)Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | SPIYDGWSKZZQAR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino fatty acidsamphetamines and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidamphetamine or derivativesalcoholmethyl-branched fatty acid1-hydroxy-4-unsubstituted benzenoidamino fatty acidbranched fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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