| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:15 UTC |
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| Update Date | 2025-03-21 18:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048746 |
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| Frequency | 67.9 |
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| Structure | |
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| Chemical Formula | C13H22O7 |
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| Molecular Mass | 290.1366 |
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| SMILES | CCC(C)(C)C(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | DWAFQJJUMSGZLX-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 acidscyclohexanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativefatty acid estertertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
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