| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:06 UTC |
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| Update Date | 2025-03-21 18:07:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069567 |
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| Frequency | 43.4 |
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| Structure | |
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| Chemical Formula | C14H18O3 |
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| Molecular Mass | 234.1256 |
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| SMILES | C=C(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O |
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| InChI Key | DAQBDYYZOFDWNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanesphenylpropenes |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativehydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenylpropenephenolhydrocarbon derivativebenzoic acidorganooxygen compound |
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