| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:06 UTC |
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| Update Date | 2025-03-21 18:33:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098310 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C14H22N2S |
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| Molecular Mass | 250.1504 |
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| SMILES | CCN(CC)CC(=S)Nc1c(C)cccc1C |
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| InChI Key | CJJVRYZNYFZMGW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | xylenes |
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| Direct Parent | m-xylenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesorganopnictogen compoundsthioamidesthiocarbonyl compoundsthiocarboxylic acid amidestrialkylamines |
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| Substituents | carbonyl groupthiocarboxylic acid amidetertiary aliphatic aminem-xylenethiocarbonyl grouporganosulfur compoundaromatic homomonocyclic compoundthioamideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amine |
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