| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:11 UTC |
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| Update Date | 2025-03-25 00:52:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28N2O6 |
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| Molecular Mass | 392.1947 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(CC(=O)CC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | WFOWFELOBSHDLY-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 | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonebeta-hydroxy ketonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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