| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:06 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176446 |
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| Frequency | 0.5 |
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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 | COc1ccc(C(O)(CO)CC(=O)O)cc1 |
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| InChI Key | SHXKHBRFKRQARX-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 | 1,2-diolsalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound1,2-diol |
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