| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:24 UTC |
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| Update Date | 2025-03-21 18:35:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106439 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1ccccc1CO |
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| InChI Key | YTGRPDLSMAAPDL-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 derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aromatic alcoholalcoholcarbonyl groupbenzoylbenzoate esterbenzyl alcoholcarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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