| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:19 UTC |
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| Update Date | 2025-03-21 18:31:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086830 |
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| Frequency | 32.8 |
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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(CNC(=O)c1ccccc1O)OC1OC(C(=O)O)C(O)C(O)C(O)C1O |
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| InChI Key | FBINFDSVUHKQIF-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 acid estersalpha amino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxepanessalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholalpha-amino acid esterhippuric acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylglycinesalicylamideoxepaneoxacyclesecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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