| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:48 UTC |
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| Update Date | 2025-03-25 00:46:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO8 |
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| Molecular Mass | 355.1267 |
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| SMILES | Cc1ccccc1C(=O)NCC(=O)OC1C(O)OC(CO)C(O)C1O |
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| InChI Key | SBNMGZVOIWECLX-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 | alpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativescarbonyl compoundscarboxylic acid estershemiacetalshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amideso-toluamides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundbenzoylmonosaccharidetoluamidebenzamidesaccharideorganic oxideo-toluamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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