| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:20 UTC |
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| Update Date | 2025-03-21 17:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004637 |
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| Frequency | 1204.0 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | COC(=O)c1ccc(O)c(C(C)(C)C)c1 |
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| InChI Key | RRGVVWMIXUBORH-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativep-hydroxybenzoic acid alkyl esterphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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