| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:34 UTC |
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| Update Date | 2025-03-21 18:05:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058744 |
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| Frequency | 53.7 |
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| Structure | |
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| Chemical Formula | C7H12O6 |
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| Molecular Mass | 192.0634 |
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| SMILES | O=C(O)CCC(=O)C(O)C(O)CO |
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| InChI Key | BQVXITHWDCHYBA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketonesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compoundmedium-chain keto acid |
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