| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162576 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO13 |
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| Molecular Mass | 397.0856 |
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| SMILES | O=C(O)CC(NC(=O)OC1C(O)CC(O)(C(=O)O)OC1C(O)CO)C(=O)O |
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| InChI Key | WXDFHRZXRPAAMC-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesc-glucuronidescarbamate esterscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativespyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholcarbonic acid derivativepyran carboxylic acid or derivativescarbamic acid esterhydroxy acidoxacycleorganic oxygen compoundpyranaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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