| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7 |
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| Molecular Mass | 256.0583 |
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| SMILES | O=C(O)CC(O)(CC(=O)O)Oc1ccc(O)cc1 |
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| InChI Key | RRSQEXNTYMYBSP-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 | 4-alkoxyphenols |
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| Direct Parent | 4-alkoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiketalshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moiety4-alkoxyphenolcarbonyl groupcarboxylic acidhemiketal1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshemiacetalhydrocarbon derivativephenoxy compoundorganooxygen compound |
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