| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:30 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042092 |
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| Frequency | 81.4 |
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| Structure | |
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| Chemical Formula | C17H22O7 |
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| Molecular Mass | 338.1366 |
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| SMILES | CCC(CCC(O)CC(=O)O)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | QRNYUFLVXIHGBK-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 derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholfatty acylcarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esterhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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