| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:00 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162437 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O9 |
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| Molecular Mass | 328.0794 |
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| SMILES | O=C(O)CC(CC(=O)OC(O)Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | CGBAYKVKWDGJDK-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershemiacetalshydrocarbon derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
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