| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:14 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO12 |
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| Molecular Mass | 415.0751 |
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| SMILES | O=C(CNC(=O)c1ccccc1O)OC1(C(=O)O)OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | FROMCLGCZDIBGT-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 | depsipeptides |
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| Direct Parent | glycodepsipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacyl glycinesalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesketalsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoylo-glucuronidemonosaccharidealpha-amino acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalketalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid estern-acyl-alpha-amino acidn-acylglycinesecondary carboxylic acid amidevinylogous acidsalicylic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativecarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativebenzamideorganic oxideglycodepsipeptideorganopnictogen compoundpyran carboxylic acid or derivativeshippuric acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamideoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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