| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:04 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022176 |
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| Frequency | 179.1 |
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| Structure | |
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| Chemical Formula | C28H39N3O7 |
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| Molecular Mass | 529.2788 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(CCC(=O)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | AGFYPDXMBAVWDF-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundorganooxygen compound |
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