| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:11 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O3S |
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| Molecular Mass | 216.0569 |
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| SMILES | CN(C)Cc1cnc(SCC(=O)O)o1 |
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| InChI Key | ODSJBPUYTITWOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,5-disubstituted oxazolesalkylarylthioethersamino acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidoxazolealkylarylthioether2,5-disubstituted 1,3-oxazolecarboxylic acid derivativearalkylaminearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundtertiary aliphatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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