| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:35 UTC |
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| Update Date | 2025-03-25 00:55:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214265 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3S |
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| Molecular Mass | 215.0616 |
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| SMILES | CCc1ncc(CSCCC(=O)O)o1 |
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| InChI Key | JNICGZYPIJNAOU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | oxazoles |
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| Direct Parent | 2,5-disubstituted oxazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundorganosulfur compound2,5-disubstituted 1,3-oxazolecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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