| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:58 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO9 |
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| Molecular Mass | 345.106 |
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| SMILES | CCC1=C(C)C(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)NC1=O |
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| InChI Key | HGYRHQJCNYVNJI-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsalpha-amino acyl ester of carbohydratesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesglycopeptidomimeticshydrocarbon derivativeslactamsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrroline 2-carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanecyclic glycopeptidomimeticorganoheterocyclic compoundcyclic hybrid peptidealcoholpyran carboxylic acid or derivativesalpha-amino acid esterazacyclepyrroline carboxylic acid or derivativeshydroxy acidcarboxamide grouppyrroline 2-carboxylic acidoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroline carboxylic acidpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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