| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:02 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O4S |
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| Molecular Mass | 348.1144 |
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| SMILES | Cc1ncc(CO)c(CSc2ccc(CC(N)C(=O)O)cc2)c1O |
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| InChI Key | FHKNVYHQWKMVFE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkylarylthioethersalpha amino acidsamphetamines and derivativesaromatic alcoholsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspolyhalopyridinessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpolyhalopyridinealkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundamphetamine or derivativesalcoholsulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinephenylalanine or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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