| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:20 UTC |
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| Update Date | 2025-03-25 00:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O5S |
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| Molecular Mass | 288.078 |
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| SMILES | CSc1ccn(C2OC(CO)C(O)C2O)c1C(N)=O |
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| InChI Key | UMRIEWWOBGAKGC-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalkylarylthioethersazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholssubstituted pyrrolessulfenyl compoundstetrahydrofuransvinylogous thioesters |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundmonosaccharidesubstituted pyrrolealkylarylthioetherorganosulfur compoundcarboxylic acid derivative2-heteroaryl carboxamidearyl thioethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrole-2-carboxamideprimary alcoholalcoholvinylogous thioestersulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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