| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:11 UTC |
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| Update Date | 2025-03-25 01:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254317 |
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| Frequency | 0.5 |
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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(C)(C)C(=O)O)c(O)cc1O |
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| InChI Key | CMLNOBYYVROITA-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesresorcinols |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compound |
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