| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:34 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018802 |
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| Frequency | 219.3 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | O=C(O)C(=O)C(O)c1ccccc1 |
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| InChI Key | ZHLWCBHWYUISFY-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbeta hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenylpropanoic acidssecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acid3-phenylpropanoic-acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-keto acidalcoholphenylpyruvatehydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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