| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:37 UTC |
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| Update Date | 2025-03-25 00:48:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168421 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24O8 |
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| Molecular Mass | 308.1471 |
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| SMILES | CC(C)C(OC1C(O)CC(O)(C(=O)O)CC1O)C(O)CO |
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| InChI Key | OXNMGWKXEILWPA-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 acidscyclohexanolsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholstertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativedialkyl ethertertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary alcoholquinic acid |
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