| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:57 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO5 |
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| Molecular Mass | 279.1107 |
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| SMILES | O=C(O)C(O)c1ccc(CN2CCCC2C(=O)O)cc1 |
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| InChI Key | ZRKPTGNJZIVQHB-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 | alpha amino acidsalpha hydroxy acids and derivativesamino acidsaralkylaminesaromatic alcoholsazacyclic compoundsbenzylaminescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenylmethylaminespyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidalpha-hydroxy acidaralkylamineorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminehydroxy acidphenylmethylaminepyrrolidine carboxylic acid or derivativesorganic oxygen compoundbenzylaminesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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