| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:37 UTC |
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| Update Date | 2025-03-21 18:40:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130924 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C16H22O7 |
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| Molecular Mass | 326.1366 |
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| SMILES | CC(C)COC(=O)c1ccccc1C(=O)OCC(O)C(O)CO |
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| InChI Key | LYWUZURHTUQGLW-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 | benzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary alcoholorganooxygen compound |
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