| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:11 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO4S+ |
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| Molecular Mass | 258.0795 |
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| SMILES | Cc1c(CCC(=O)O)sc[n+]1CCCC(=O)O |
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| InChI Key | ITRLYHBJPXZDFV-UHFFFAOYSA-O |
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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 | thiazoles |
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| Direct Parent | 4,5-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivative4,5-disubstituted 1,3-thiazoleorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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