| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO2S |
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| Molecular Mass | 211.0667 |
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| SMILES | O=C(O)CSCCNc1ccccc1 |
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| InChI Key | MBILZTKZJNMRPA-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 | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganopnictogen compoundsulfenyl compounddialkylthioethersecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenylalkylaminehydrocarbon derivativebenzenoidorganooxygen compound |
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