| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:24 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O7S |
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| Molecular Mass | 304.0365 |
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| SMILES | O=C(Cc1c[nH]c(=S)[nH]1)OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | UKWHMYBPHXUTST-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundmonosaccharideimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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