| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:39 UTC |
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| Update Date | 2025-03-21 18:02:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037749 |
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| Frequency | 93.1 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | O=C(O)CC(O)CC1CCC(=O)O1 |
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| InChI Key | CNFUNWYQSHYHLD-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeshydroxy fatty acidsorganic oxidesoxacyclic compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidcarboxylic acid derivativelactonebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundhydroxy fatty acidorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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