| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:40 UTC |
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| Update Date | 2025-03-21 18:35:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104632 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C16H19NO10 |
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| Molecular Mass | 385.1009 |
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| SMILES | O=C(CNC(=O)c1ccccc1O)OC1C(O)C(O)C(O)C(O)C1C(=O)O |
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| InChI Key | PJRWLGCTBPAMPR-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamidebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholalpha-amino acid esterhippuric acid or derivativescyclohexanolbenzoic acid or derivativescyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxamide groupn-acylglycinesalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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