| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:51 UTC |
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| Update Date | 2025-03-21 18:40:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131489 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C15H18O9 |
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| Molecular Mass | 342.0951 |
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| SMILES | O=C(Cc1ccc(O)c(O)c1)OC1CC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | IEMGYOZBGAFLAO-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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