| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:29 UTC |
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| Update Date | 2025-03-21 18:41:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132905 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C13H22N2O10 |
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| Molecular Mass | 366.1274 |
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| SMILES | CC(=O)NC1C(NC(C(=O)O)C(O)C(O)C=O)OC(CO)C(O)C1O |
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| InChI Key | USYANUMHUYOSKU-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 acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxyaldehydesamino acidsbeta hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acidsdialkylamineshemiaminalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy aldehydecarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty acidhemiaminalbeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsecondary aliphatic aminealdehydehydroxy acidsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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