| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:25 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234265 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | Cc1cc(O)c(CC(=O)C(=O)O)c(C)c1O |
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| InChI Key | VWVZKMMXEANLIS-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativeshydroquinonesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenylpropanoic acidsm-xylenes |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonexyleneorganic oxideo-cresolalpha-keto acidm-cresolphenylpyruvatem-xylenehydroquinonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativeorganooxygen compound |
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