| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O6 |
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| Molecular Mass | 202.0477 |
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| SMILES | O=C1CCC(C(O)CC(=O)C(=O)O)O1 |
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| InChI Key | ZQBLQGSIRIFQIW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | heterocyclic fatty acids |
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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 butyrolactoneshydrocarbon derivativeshydroxy fatty acidsorganic oxidesoxacyclic compoundssecondary alcoholsshort-chain keto acids and derivativestetrahydrofurans |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidheterocyclic fatty acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeketonelactoneorganic oxidealiphatic heteromonocyclic compoundalpha-keto acidhydroxy fatty acidorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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