| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:38 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163863 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO5S |
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| Molecular Mass | 339.114 |
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| SMILES | CC1=C(CCCCC(=O)O)S(=O)(=O)NC1Cc1ccc(O)cc1 |
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| InChI Key | NYALDEOPHQXANC-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesthiazolines |
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| Substituents | fatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativemedium-chain hydroxy acidorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundazacyclemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesortho-thiazolinephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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