| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:22 UTC |
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| Update Date | 2025-03-21 18:28:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070230 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C12H21NO8 |
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| Molecular Mass | 307.1267 |
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| SMILES | O=C(O)C(=O)CCCCNCC1(O)OC(CO)C(O)C1O |
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| InChI Key | ZEJOEUDJNRJWFN-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsamino fatty acidscarboxylic acidsdialkylaminesfatty acylshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhemiacetalhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminemedium-chain keto acid |
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