| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:46 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121798 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C16H20O5 |
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| Molecular Mass | 292.1311 |
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| SMILES | CCCC(COC(=O)c1ccccc1C(=O)O)CC(C)=O |
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| InChI Key | ZLCWTTFYBLJVIH-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 | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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