| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:16 UTC |
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| Update Date | 2025-03-21 17:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009086 |
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| Frequency | 533.8 |
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| Structure | |
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| Chemical Formula | C15H22O3 |
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| Molecular Mass | 250.1569 |
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| SMILES | COC(=O)c1cc(C(C)C)c(O)c(C(C)(C)C)c1 |
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| InChI Key | WQBWDBJZSUGGCI-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 | benzoyl derivativescumeneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanes |
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| Substituents | benzoylcarboxylic acid derivativep-hydroxybenzoic acid alkyl esterphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterphenolcumenehydrocarbon derivativeorganooxygen compound |
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