| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:46 UTC |
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| Update Date | 2025-03-21 18:39:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124072 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | O=C(Cc1ccccc1)OC(C(=O)O)C(O)C(=O)O |
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| InChI Key | ZKJCWTLKULMZFH-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativeshydroxy acidaromatic homomonocyclic compoundbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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