| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:37 UTC |
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| Update Date | 2025-03-25 00:56:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H45N3O10 |
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| Molecular Mass | 631.3105 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(CC4OC(CC(=O)O)C(O)C4O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | JJZZSJSTXHCLSE-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 | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolidine-2-onessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | 2-pyrrolidonecarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidetricarboxylic acid or derivativesdialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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