| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:05 UTC |
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| Update Date | 2025-03-21 18:32:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090975 |
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| Frequency | 30.9 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | O=C(O)CC(O)Oc1ccc(O)cc1 |
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| InChI Key | DQEVZYMSELEMNK-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 benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moiety4-alkoxyphenolcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhemiacetalhydrocarbon derivativephenoxy compoundorganooxygen compound |
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