| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:52 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031019 |
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| Frequency | 119.3 |
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| Structure | |
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| Chemical Formula | C12H16O6 |
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| Molecular Mass | 256.0947 |
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| SMILES | COc1cc(CC(CO)C(O)C(=O)O)ccc1O |
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| InChI Key | SNYGLPSALNZVSG-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 ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideprimary alcoholalcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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