| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:08 UTC |
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| Update Date | 2025-03-25 01:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25N3OS |
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| Molecular Mass | 331.1718 |
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| SMILES | CC(=Nc1ccccc1)NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | XSCXCALUUZYGCA-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 | amidinesbenzene and substituted derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furanmonocyclic benzene moietyaromatic heteromonocyclic compoundamidineorganosulfur compoundaralkylaminepropargyl-type 1,3-dipolar organic compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganooxygen compound |
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