| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:54 UTC |
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| Update Date | 2025-03-25 00:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O6 |
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| Molecular Mass | 216.0634 |
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| SMILES | O=C1CCC(CC(O)CC(=O)C(=O)O)O1 |
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| InChI Key | UXSVKKVMIDPJJC-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 heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma butyrolactonesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-hydroxy ketonecarboxylic acid derivativeketonelactoneorganic oxidealiphatic heteromonocyclic compoundalpha-keto acidhydroxy fatty acidorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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