| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:17 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238458 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO5 |
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| Molecular Mass | 227.0794 |
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| SMILES | O=C(O)C(O)CNCc1ccc(O)c(O)c1 |
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| InChI Key | NLZHNLPSQBPLEK-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 | beta 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 benzenoidsalpha hydroxy acids and derivativesamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminehydroxy acid1-hydroxy-4-unsubstituted benzenoidsecondary aminebeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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