| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:27 UTC |
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| Update Date | 2025-03-21 18:40:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128140 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | O=C(O)CC(O)(CC(=O)O)Cc1ccc(O)cc1 |
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| InChI Key | TUJAOCPDFWBCRP-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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