| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:49 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO7 |
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| Molecular Mass | 339.1318 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1CNC(C(=O)O)C1 |
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| InChI Key | KEJYQGNMYQFEJO-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholsecondary aliphatic amineazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminefatty acid esterpyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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