| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:20 UTC |
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| Update Date | 2025-03-21 18:04:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053548 |
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| Frequency | 60.4 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CC(C)(C)COC(=O)c1ccccc1CO |
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| InChI Key | RILKQCIPIYJDKD-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsbenzoyl derivativesbenzyl alcoholscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aromatic alcoholalcoholbenzoylbenzoate esterbenzyl alcoholcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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