| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:38 UTC |
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| Update Date | 2025-03-21 18:41:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133261 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C11H11NO6 |
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| Molecular Mass | 253.0586 |
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| SMILES | NC(CC(=O)Oc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | PTVSGFGFUIHUID-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacylsalicylic acidsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | acylsalicylic acidfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativesacylsalicylic acid or derivativesaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esteraspartic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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