| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:47 UTC |
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| Update Date | 2025-03-25 00:45:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N2O2S |
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| Molecular Mass | 312.1871 |
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| SMILES | CCC(CC)C(=O)NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | TXVMCKKBBRBABY-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 | amino acids and derivativescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesn-acyl aminesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | fatty acylfurancarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesfatty amideorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxideorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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