| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:23 UTC |
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| Update Date | 2025-03-25 00:52:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27NO8S |
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| Molecular Mass | 429.1457 |
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| SMILES | CCCCC(CC)COC(=O)c1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)cc1 |
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| InChI Key | SXZCFHAUQDOTQW-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 | alpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidestricarboxylic acids and derivatives |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esteralpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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