| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:46 UTC |
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| Update Date | 2025-03-21 18:33:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097478 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | O=CCc1c(O)cc(O)cc1O |
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| InChI Key | RCQGSSYLSCZYJT-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | phloroglucinols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidesphenylacetaldehydes |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidaldehyde1-hydroxy-4-unsubstituted benzenoidphloroglucinol derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
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