| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:43 UTC |
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| Update Date | 2025-03-25 00:47:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164058 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H27N3O7 |
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| Molecular Mass | 457.1849 |
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| SMILES | CC1=C(C)C(Cc2[nH]c(C=C3C=C(C(=O)O)NC(C(=O)O)C3)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | UIAKWHGNSGMPIV-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 acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundtetrahydropyridinesecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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