| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:55 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27NO12 |
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| Molecular Mass | 413.1533 |
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| SMILES | CC(NC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O)C(=O)O |
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| InChI Key | FKCPINUOXCWBMR-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsalpha-hydroxyaldehydesamino acidsbeta-hydroxy aldehydescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | beta-hydroxy aldehydecarbonyl groupcarboxylic acidamino acidmonosaccharidesaccharideorganic oxidealpha-hydroxyaldehydeacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminealdehydesecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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