| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:09 UTC |
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| Update Date | 2025-03-21 17:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008825 |
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| Frequency | 551.6 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | COc1cc(CC(O)CC(=O)O)ccc1O |
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| InChI Key | GGLNWEYIYRGOET-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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