| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:12 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240559 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO9S |
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| Molecular Mass | 333.0155 |
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| SMILES | NC(COC(=O)c1ccccc1C(=O)OS(=O)(=O)O)C(=O)O |
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| InChI Key | LQVUSCCGUUEZQT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesterstricarboxylic acids and derivatives |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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