| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:09 UTC |
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| Update Date | 2025-03-21 18:33:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098444 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C11H10O6 |
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| Molecular Mass | 238.0477 |
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| SMILES | O=C(CO)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | MSCDMNNGEOOFNZ-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 | 1-carboxy-2-haloaromatic compoundsalcohols and polyolsalpha-hydroxy ketonesbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesglycerone and derivativeshydrocarbon derivativesmonosaccharidesorganic oxides |
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| Substituents | alcoholcarbonyl groupcarboxylic acidbenzoylmonosaccharidebenzoate esteralpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundsaccharideorganic oxideorganic oxygen compoundglycerone or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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