| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:29 UTC |
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| Update Date | 2025-03-21 18:02:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037342 |
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| Frequency | 94.4 |
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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 | Cc1c(C=O)cc(O)c(O)c1O |
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| InChI Key | KQHNDJWYGYKYTL-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 | pyrogallols 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 benzenoidsbenzoyl derivativeshydrocarbon derivativeshydroxybenzaldehydesmeta cresolsorganic oxidesorganooxygen compoundsortho cresolspara cresolstoluenes |
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| Substituents | monocyclic benzene moietypyrogallol derivativem-cresolbenzoyl1-hydroxy-2-unsubstituted benzenoidaldehyde1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundbenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundp-cresolo-cresolhydrocarbon derivativehydroxybenzaldehydetolueneorganooxygen compound |
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