| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:15 UTC |
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| Update Date | 2025-03-21 18:02:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041490 |
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| Frequency | 82.8 |
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| Structure | |
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| Chemical Formula | C11H14O6 |
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| Molecular Mass | 242.079 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OO |
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| InChI Key | NVLUAPFICJUFRO-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 | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivativessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidhydroperoxide1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeperoxolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundperoxycarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganooxygen compound |
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