| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:42 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059096 |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C12H17NO12 |
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| Molecular Mass | 367.0751 |
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| SMILES | O=C(O)CC(NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | SEESDDXBFQSZON-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 acidsaspartic acid and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetracarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesamino acido-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativestetracarboxylic acid or derivativeshydroxy acidsecondary amineoxacycleorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydrateaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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