| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O4S |
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| Molecular Mass | 300.1144 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(O)=CC(=O)O)o1 |
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| InChI Key | HMYQMCCXLDSZJL-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 | alkanolaminesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylaminesvinylogous acidsvinylogous amides |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxideorganopnictogen compoundtertiary amineorganoheterocyclic compoundalkanolaminevinylogous amidesecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminesecondary amineoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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