| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:47 UTC |
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| Update Date | 2025-03-25 00:49:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173398 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23N3O4 |
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| Molecular Mass | 345.1689 |
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| SMILES | CCC1=C(C)C(=Cc2[nH]c(C)c(C(=O)CC(N)C(=O)O)c2C)NC1=O |
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| InChI Key | DMKGYUXRYSCNTB-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupgamma-keto acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolineketo acidpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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