| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:49 UTC |
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| Update Date | 2025-03-25 00:45:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150729 |
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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)CC(O)C(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | DHQUXBZKDQQMOG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativebeta-hydroxy acidorganic oxidebenzoic acidalcoholbenzoic acid or derivativeshydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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