| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:04 UTC |
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| Update Date | 2025-03-21 18:03:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043504 |
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| Frequency | 78.1 |
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| Structure | |
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| Chemical Formula | C11H14O4 |
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| Molecular Mass | 210.0892 |
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| SMILES | COc1ccc(CC(C)C(=O)O)cc1O |
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| InChI Key | CKSZNYCRXUOWRX-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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