| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:16 UTC |
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| Update Date | 2025-03-21 18:36:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108566 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C12H18O9 |
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| Molecular Mass | 306.0951 |
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| SMILES | O=C(O)CCCC(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | VWJGBSAUWRNWGE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsfatty acid estershydrocarbon derivativesorganic oxidestertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanoltricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativefatty acid estertertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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