| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:35 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 | DMID02250735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O5 |
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| Molecular Mass | 214.0841 |
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| SMILES | O=C(O)CCC(O)=CC1CC(O)CC1=O |
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| InChI Key | QWIPHWZBXLTCJO-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 | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic alcohols and derivativescyclic ketonescyclopentanolsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alcoholcarbocyclic fatty acidcarbonyl groupcarboxylic acidcyclic ketonecyclic alcoholcarboxylic acid derivativemedium-chain hydroxy acidcyclopentanolketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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