| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 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 | DMID02162634 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO11 |
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| Molecular Mass | 369.1271 |
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| SMILES | O=C(O)CC(NC1C(O)C(O)C(CO)OC1C(O)C(O)CO)C(=O)O |
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| InChI Key | RWYMBQIHGIXWRS-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkyl ethersdialkylaminesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty aciddialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminesecondary amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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