| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:18 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236265 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2S |
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| Molecular Mass | 168.0721 |
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| SMILES | CSCC(N)c1ccccn1 |
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| InChI Key | PMRUTMXUOFOULS-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 | pyridines and derivatives |
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| Subclass | methylpyridines |
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| Direct Parent | methylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | sulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundmethylpyridineorganosulfur compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compound |
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