| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:23 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CC(CO)C(O)C(=O)CC(=O)O |
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| InChI Key | KDFPRRABMVGRGE-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 ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidehydroxy fatty acidprimary alcoholalcoholbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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