| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O8 |
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| Molecular Mass | 340.1158 |
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| SMILES | O=C(O)CCC(=O)OCOC(=O)CCC(O)Cc1cccc(O)c1 |
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| InChI Key | WWOZGDKPABLQFO-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 benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundacylalfatty acid esterorganic oxideorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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