| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:08 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24N2O3S |
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| Molecular Mass | 312.1508 |
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| SMILES | CSCCCNCC(O)COc1ccc(CC(N)=O)cc1 |
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| InChI Key | VNSRZYXQFQTVEK-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativescarbonyl compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethershydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessecondary alcoholssulfenyl compounds |
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| Substituents | primary carboxylic acid amidephenol ethercarbonyl groupetheramino acid or derivativesalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidealcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminecarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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