| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:33 UTC |
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| Update Date | 2025-03-25 00:58:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232276 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O6 |
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| Molecular Mass | 308.126 |
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| SMILES | CCC(CCC(=O)O)COC(=O)Cc1ccccc1C(=O)O |
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| InChI Key | BKWZUQQCAPJGHU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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