| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:31 UTC |
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| Update Date | 2025-03-21 18:39:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123538 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C13H13NO7 |
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| Molecular Mass | 295.0692 |
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| SMILES | CC(=O)NC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | SGWQQQKCVMPDDH-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideenoate estern-acyl-alpha-amino acid1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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