| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135279 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | COc1cc(CCC(=O)O)c(O)c(OC)c1 |
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| InChI Key | RDUOEPGVDVSPOR-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 | 4-alkoxyphenolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moiety4-alkoxyphenolcarbonyl groupethercarboxylic acid3-phenylpropanoic-acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compounddimethoxybenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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