| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:51 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O2S |
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| Molecular Mass | 250.1028 |
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| SMILES | O=C(O)CCC1SCCC1Cc1ccccc1 |
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| InChI Key | RVHKJMGTXIQCIJ-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 | thia fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiolanes |
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| Substituents | thiolanemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compounddialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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