| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:50 UTC |
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| Update Date | 2025-03-21 17:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008089 |
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| Frequency | 612.1 |
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| Structure | |
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| Chemical Formula | C9H14O7 |
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| Molecular Mass | 234.074 |
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| SMILES | CC(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | USLYLWPUBLWMNU-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 derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
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