| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:16 UTC |
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| Update Date | 2025-03-21 18:33:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093868 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C16H20O7 |
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| Molecular Mass | 324.1209 |
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| SMILES | O=C(O)CCC(OC(=O)CCC(O)Cc1ccccc1)C(=O)O |
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| InChI Key | VLFOQHGJXOPQKY-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidtricarboxylic acid or derivativesaromatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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