| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:19 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179233 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | COc1ccc(C2OC(O)(C(=O)O)CC2=O)cc1O |
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| InChI Key | APJWBSSKNNQSEN-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarboxylic acidscyclic ketonesfuranoneshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketoneorganic oxidehemiacetalorganoheterocyclic compoundtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compound3-furanoneorganooxygen compound |
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