| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:47 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109812 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C13H22N2O2S |
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| Molecular Mass | 270.1402 |
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| SMILES | CCC(=O)NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | AAODLUPHMWLJSC-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 derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxideorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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