| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:29 UTC |
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| Update Date | 2025-03-21 18:38:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123467 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C14H20O4 |
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| Molecular Mass | 252.1362 |
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| SMILES | CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)O)c1O |
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| InChI Key | SHAMWWAWRAWNRC-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 | aromatic alcoholsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenolsphenylpropanestertiary alcohols |
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| Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylcarboxylic acid derivativehydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzoic acidorganooxygen compound |
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