| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:24 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234223 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O2S |
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| Molecular Mass | 282.1402 |
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| SMILES | COC(=O)NCCSCc1ccc(CN(C)C)cc1 |
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| InChI Key | KNYYNXQWNKWFBN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylmethylamines |
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| Direct Parent | phenylmethylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aralkylaminesbenzylaminescarbonyl compoundsdialkylthioethershydrocarbon derivativesmethylcarbamatesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundstrialkylamines |
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| Substituents | carbonyl groupmethylcarbamateorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminecarbonic acid derivativesulfenyl compounddialkylthioethertertiary aliphatic aminecarbamic acid esteraromatic homomonocyclic compoundphenylmethylamineorganic oxygen compoundbenzylaminethioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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