| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:09 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178842 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O5S |
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| Molecular Mass | 368.1406 |
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| SMILES | COc1ccc(C2SCC(=O)N2CCCCC(N)C(=O)O)cc1OC |
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| InChI Key | UGTLEQYWTOUJNJ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdimethoxybenzenesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesthiazolidines |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidalkyl aryl ethermedium-chain hydroxy aciddimethoxybenzeneorganic oxideo-dimethoxybenzenetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundthiazolidine |
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