| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:34:24 UTC |
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| Update Date | 2025-03-21 17:56:36 UTC |
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| HMDB ID | HMDB0133486 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002407 |
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| Name | 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid |
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| Frequency | 2532.7 |
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| Structure | |
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| Chemical Formula | C10H12O5 |
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| Molecular Mass | 212.0685 |
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| SMILES | COc1cc(C(O)CC(=O)O)ccc1O |
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| InChI Key | ABTZMSOARGMKMK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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