| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:45 UTC |
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| Update Date | 2025-03-25 00:52:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17ClN2O5S |
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| Molecular Mass | 348.0547 |
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| SMILES | CC1(O)CCN(c2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)CC1 |
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| InChI Key | CNQMEFCOMAQWBH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsamino acidsaminobenzenesulfonamidesaminobenzoic acids and derivativesaminosulfonyl compoundsaniline and substituted anilinesaryl chloridesazacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzenesdialkylarylamineshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidestertiary alcoholsvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesorganochloridebenzoylorganonitrogen compound1-carboxy-2-haloaromatic compoundaminobenzoic acid or derivativesbenzenesulfonyl grouparyl chloridechlorobenzenealcoholvinylogous amidehalobenzoic acidbenzenesulfonamide4-halobenzoic acidazacyclearyl halide4-halobenzoic acid or derivativeshydrocarbon derivativehalobenzeneamineorganosulfonic acid or derivativesaminobenzenesulfonamidearomatic heteromonocyclic compoundamino acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidetertiary aliphatic/aromatic amineorganopnictogen compoundbenzoic aciddialkylarylaminetertiary amineaminosulfonyl compoundaniline or substituted anilinesbenzoic acid or derivativeshalobenzoic acid or derivativestertiary alcoholmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylpiperidinebenzenoidorganic nitrogen compoundorganooxygen compound |
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