| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:29 UTC |
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| Update Date | 2025-03-25 00:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229836 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28N2O2S |
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| Molecular Mass | 336.1871 |
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| SMILES | CCCC=CCC(=C=O)NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | HOAQVKGBDLDPEB-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 | dialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylaminesynolates |
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| Substituents | furansecondary aliphatic aminesulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminesecondary amineorganosulfur compoundaralkylamineoxacycleorganic oxideorganic oxygen compoundynolatethioetherorganopnictogen compoundhydrocarbon derivativetertiary amineorganoheterocyclic compoundorganooxygen compound |
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