| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:53 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239843 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2OS |
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| Molecular Mass | 184.067 |
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| SMILES | NCCSCc1ccc(C=O)[nH]1 |
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| InChI Key | XPOSSSGDYWWYOE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | sulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundorganosulfur compoundorganic oxidearyl-aldehydethioetherpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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