| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:56 UTC |
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| Update Date | 2025-03-25 00:56:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217369 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O4 |
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| Molecular Mass | 304.1423 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)NCCN1CCCC1C(=O)O |
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| InChI Key | MZRVAIDNNDYQRJ-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 benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboxamide grouphydroxycinnamic acidsecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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