| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:01 UTC |
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| Update Date | 2025-03-21 17:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019818 |
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| Frequency | 205.5 |
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| Structure | |
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| Chemical Formula | C14H15NO9 |
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| Molecular Mass | 341.0747 |
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| SMILES | O=C(CNC(=O)c1ccccc1O)OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | IJZVGCHYPJGIAH-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 benzenoidsacetalsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssalicylamidessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzamidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholalpha-amino acid estertetrahydrofuranhippuric acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinesalicylamideoxacyclesecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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