| 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 00:52:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H37N3O8 |
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| Molecular Mass | 531.2581 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(CC(=O)O)c(CO)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | YWXHPVUPJLLTSF-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 | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | aromatic alcohol2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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