| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:43 UTC |
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| Update Date | 2025-03-25 00:48:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2OS |
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| Molecular Mass | 254.1453 |
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| SMILES | CC(C)=NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | SHOMNYCSODFLDL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | aralkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | dialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminessulfenyl compoundstrialkylamines |
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| Substituents | furanketiminearomatic heteromonocyclic compoundimineorganosulfur compoundaralkylaminepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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