| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:00:55 UTC |
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| Update Date | 2025-03-21 18:06:38 UTC |
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| HMDB ID | HMDB0141328 |
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| Metabolite Identification |
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| DeepMet ID | DMID00064334 |
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| Name | 3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoic acid |
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| Frequency | 47.8 |
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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(C(O)CC(=O)O)cc(OC)c1OC |
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| InChI Key | RNHAKYOYXCWNHW-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 | alkyl aryl ethersanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidhydroxy acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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