| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:39 UTC |
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| Update Date | 2025-03-21 17:58:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014652 |
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| Frequency | 300.6 |
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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 | COc1c(O)cc(CC(=O)O)cc1O |
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| InChI Key | KNMIXZBQDPYJOZ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsresorcinols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemethoxybenzeneresorcinolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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