| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:33 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223464 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O6S |
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| Molecular Mass | 276.0416 |
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| SMILES | N=c1scc(C(=O)O)n1C1OC(CO)C(O)C1O |
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| InChI Key | XBBRYRWNFQCVRL-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 | thiazoles |
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| Direct Parent | thiazolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesisothioureasmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativethiazolecarboxylic acid or derivativessaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholisothioureaalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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