| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:21 UTC |
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| Update Date | 2025-03-21 18:32:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089220 |
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| Frequency | 31.7 |
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| Structure | |
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| Chemical Formula | C16H19NO11 |
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| Molecular Mass | 401.0958 |
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| SMILES | O=C(Cc1ccc(O)c(O)c1)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ZGUTYDOZZLTKIP-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 carbohydratesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylacetamidespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanephenylacetamideorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalpha-amino acid esterhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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