| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:59 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 | DMID02171542 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O4S |
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| Molecular Mass | 312.1144 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=C=O)CC(=O)O)o1 |
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| InChI Key | DECBSKCFCIVBJY-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 acidsdialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylaminesynolates |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxideorganopnictogen compoundtertiary amineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminesecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundynolatethioetherhydrocarbon derivativeorganooxygen compound |
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