| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:04 UTC |
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| Update Date | 2025-03-21 18:03:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045906 |
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| Frequency | 73.2 |
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| Structure | |
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| Chemical Formula | C15H17NO10 |
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| Molecular Mass | 371.0852 |
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| SMILES | O=C(CNC(=O)c1ccccc1O)OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | UCALDOFSKGHFMI-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshippuric acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoylmonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganonitrogen compoundalpha-amino acidhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholalpha-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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