| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:47 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175692 |
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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 | CCC(O)(CC(=O)O)C(=O)CO |
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| InChI Key | WFLJWSJGUNFTAF-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesshort-chain keto acids and derivativestertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketonetertiary alcoholsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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