| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:03 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148894 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23N3O6 |
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| Molecular Mass | 425.1587 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2CC(=O)NC2C(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | QXVOWIOVJVIFEX-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolespyrrolidine carboxylic acidspyrrolidine-2-onespyrrolinessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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