| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:10 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162827 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO9 |
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| Molecular Mass | 369.106 |
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| SMILES | O=C(Cc1ccccc1)NCC(=O)OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | MXHHMXWLFSZJDF-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-diolsalpha amino acidsalpha-amino acyl ester of carbohydratescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylacetamidespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidepyran carboxylic acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxanephenylacetamideorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesalpha-amino acid estercarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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