| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:18 UTC |
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| Update Date | 2025-03-21 18:38:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123046 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C16H19NO10 |
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| Molecular Mass | 385.1009 |
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| SMILES | COC(=O)C1OC(OC(=O)CNC(=O)c2ccccc2O)C(O)C(O)C1O |
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| InChI Key | QLWNQQNEWOXWMN-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 | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmethyl estersmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietybenzoylo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharidemethyl esteracetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholalpha-amino acid estern-acylglycinesecondary carboxylic acid amidevinylogous acidsalicylic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativecarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganopnictogen 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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