| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:38 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24N2O12 |
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| Molecular Mass | 484.1329 |
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| SMILES | CC(=O)NC1C(OC(=O)CNC(=O)c2ccccc2O)OC(C(=O)O)C(O)C1OC(C)C(=O)O |
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| InChI Key | JLPHNBDIWKPDTH-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 benzenoidsacetalsacetamidesalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethershippuric acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidessugar acids and derivativestricarboxylic acids and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoylmonosaccharidepyran carboxylic aciddialkyl ethermuramic_acidbeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundacetamidealcoholalpha-amino acid estern-acylglycinesecondary carboxylic acid amidevinylogous acidsalicylic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativecarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesbenzamiden-acyl-alpha-hexosamineorganic 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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