| 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 | DMID02152369 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO4S |
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| Molecular Mass | 297.1035 |
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| SMILES | NC(CCCCSCc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | MKXRDZNDQVTBAA-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compounddialkylthioetherbenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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