| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:51 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O6 |
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| Molecular Mass | 258.1103 |
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| SMILES | O=C(O)CC1CCC(CCCCC(=O)C(=O)O)O1 |
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| InChI Key | JBPSFOQPSMJWBY-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 derivativescarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesfatty acylsheterocyclic fatty acidshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidtetrahydrofuranheterocyclic fatty acidalpha-hydroxy ketonecarboxylic acid derivativedialkyl etherketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundmedium-chain keto acid |
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