| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:05 UTC |
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| Update Date | 2025-03-21 18:02:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041111 |
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| Frequency | 83.8 |
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| Structure | |
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| Chemical Formula | C17H20N2O5S |
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| Molecular Mass | 364.1093 |
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| SMILES | C=CC1=C(C)C(=CC2=NS(=O)(=O)C(CCCCC(=O)O)=C2C)NC1=O |
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| InChI Key | LRDBPUCWCRYRLE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivativespyrrolinessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidazacycleheterocyclic fatty acidcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolineorganic sulfonic acid or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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