| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:59 UTC |
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| Update Date | 2025-03-25 00:52:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196574 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO6S |
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| Molecular Mass | 329.0933 |
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| SMILES | CCC(CCC(=O)O)COC(=O)c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | HOJDTTGRHKIRLF-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamides |
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| Substituents | fatty acylcarbocyclic fatty acidorganosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoylfatty acidbenzoate esterorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidorganosulfonic acid amideorganic oxidemedium-chain fatty acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbranched fatty acidaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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