| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:47 UTC |
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| Update Date | 2025-03-25 01:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO9 |
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| Molecular Mass | 321.106 |
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| SMILES | CCC(NC(=O)OC1CC(O)(C(=O)O)CC(O)C1O)C(=O)O |
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| InChI Key | SAFRWTFBZIUUNT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbamate esterscarbocyclic fatty acidscarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidcarbonic acid derivativecyclohexanolcarbamic acid esterhydroxy acidtertiary alcoholsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundquinic acid |
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