| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:49 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052361 |
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| Frequency | 62.2 |
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| Structure | |
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| Chemical Formula | C12H11ClN2O5S |
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| Molecular Mass | 330.0077 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1NCc1ccco1 |
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| InChI Key | UXOOVYKVEXGCSH-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halobenzoic acidsamino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzenesfuranshalobenzoic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylalkylaminessecondary alkylarylaminesvinylogous halides |
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| Substituents | furanorganosulfonic acid or derivatives2-halobenzoic acidcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamideaminosulfonyl compoundheteroaromatic compoundbenzoic acid or derivativeshalobenzoic acid or derivativessecondary aminevinylogous halide2-halobenzoic acid or derivativessecondary aliphatic/aromatic aminearyl halideoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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