| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:07 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | O=C1CC(O)(C(=O)O)CC1c1ccc(O)cc1 |
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| InChI Key | UZVHAAZQJMFXQU-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbenzene and substituted derivativescarboxylic acidscyclic alcohols and derivativescyclic ketonescyclopentanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcyclic ketonehydroxy acidcyclic alcoholcarboxylic acid derivativecyclopentanolketonearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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