| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:42 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O2S |
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| Molecular Mass | 226.1028 |
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| SMILES | O=C(O)CCCC1SCC2CC=CCC21 |
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| InChI Key | MZKZLKICWMGIAN-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 heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidheterocyclic fatty aciddialkylthioethercarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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