| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:21 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO11 |
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| Molecular Mass | 365.0958 |
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| SMILES | O=C(O)C1CC(O)CC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)N1 |
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| InChI Key | YJDXCHSJBWKWGK-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 | alpha-amino acyl ester of carbohydrates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespiperidinecarboxylic acidspiperidinespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesamino acido-glucuronidemonosaccharidetricarboxylic acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidoxanepiperidineorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativesazacyclehydroxy acidsecondary amineoxacycleorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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