| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:22 UTC |
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| Update Date | 2025-03-21 17:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004729 |
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| Frequency | 1169.8 |
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| Structure | |
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| Chemical Formula | C10H12O4 |
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| Molecular Mass | 196.0736 |
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| SMILES | COc1ccc(O)c(CCC(=O)O)c1 |
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| InChI Key | PZWLHLHYWMZSPP-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moiety4-alkoxyphenolcarbonyl groupethercarboxylic acid3-phenylpropanoic-acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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