| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:18 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O3 |
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| Molecular Mass | 236.1412 |
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| SMILES | CC(C)c1cc(CO)cc(C(C)(C)C(=O)O)c1 |
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| InChI Key | ZNZGJOSBTWUGND-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsbenzyl alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidbenzyl alcoholcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcumenehydrocarbon derivativeorganooxygen compound |
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