| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:10 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O6 |
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| Molecular Mass | 308.1008 |
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| SMILES | O=C(NCC(=O)N1CCCC1C(=O)O)c1cc(O)ccc1O |
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| InChI Key | IHVSZHFJNRERGC-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssalicylamidessecondary carboxylic acid amidestertiary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesbenzamideorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupsalicylamidehydroquinonealpha-dipeptidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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