| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:40 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28N4O6 |
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| Molecular Mass | 444.2009 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(C=C2NC(=O)C(CC(=O)O)N2)c(CCC(=O)O)c1C |
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| InChI Key | VGLSJLWRAIDVOZ-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolidinoneslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | imidazolidinecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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