| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:08 UTC |
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| Update Date | 2025-03-21 18:36:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110662 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C14H22N2O4S |
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| Molecular Mass | 314.13 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=O)CCC(=O)O)o1 |
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| InChI Key | DYZLOKDSHWQRLO-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 acidscarbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidfatty amideorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxideorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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