| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:54 UTC |
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| Update Date | 2025-03-25 00:52:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196385 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26N2O6 |
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| Molecular Mass | 378.1791 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(CCC(=O)O)c(CCC(=O)O)c1CO |
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| InChI Key | NFYXHPYHBVANHP-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | aromatic alcoholalcoholcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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