| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:27 UTC |
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| Update Date | 2025-03-21 18:33:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096724 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C17H23NO9 |
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| Molecular Mass | 385.1373 |
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| SMILES | NC(CCC(=O)OCOC(=O)CCC(O)Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | UUOKUOXIONLHPL-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 | glutamic acid 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 benzenoidsacetalsacylalsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesacylalorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholglutamic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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