| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:07 UTC |
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| Update Date | 2025-03-25 01:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O10 |
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| Molecular Mass | 308.0743 |
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| SMILES | O=C(O)CCC(=O)OC1C(O)C(O)CC(O)(C(=O)O)C1O |
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| InChI Key | MKJBVQIHDMNLTA-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 derivativesbeta 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 esterbeta-hydroxy acidtertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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