| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:29 UTC |
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| Update Date | 2025-03-25 00:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO8 |
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| Molecular Mass | 343.1267 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)OC(C(O)CO)C(O)C(O)C=O |
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| InChI Key | YSEQJYLJLOTYOB-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsalpha-hydroxyaldehydesamphetamines and derivativesbenzene and substituted derivativesbeta-hydroxy aldehydescarboxylic acid estersfatty acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesprimary alcoholssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietybeta-hydroxy aldehydecarbonyl group1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholamphetamine or derivativesalcoholtyrosine or derivativesalpha-amino acid esteraldehydearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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