| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:26 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250408 |
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| Frequency | 0.5 |
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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(O)Cc1ccc(CC(=O)C(=O)O)cc1O |
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| InChI Key | ITHPJONBORIKQV-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 benzenoids1-hydroxy-4-unsubstituted benzenoids2(hydroxyphenyl)acetic acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acids |
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| Substituents | carbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidalpha-keto aciddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound2(hydroxyphenyl)acetic acid |
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