| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:32 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO2S |
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| Molecular Mass | 289.1136 |
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| SMILES | NC(CCCCSc1cccc2ccccc12)C(=O)O |
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| InChI Key | QOUBTYVAQDDXDF-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsulfenyl compoundaromatic homopolycyclic compoundmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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