| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:50 UTC |
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| Update Date | 2025-03-21 18:40:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131428 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C13H14N2O5S |
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| Molecular Mass | 310.0623 |
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| SMILES | Cc1cc(S(N)(=O)=O)cc(C(=O)O)c1NCc1ccco1 |
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| InChI Key | YCRFUDHPKKHNJX-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 compoundsamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylalkylaminessecondary alkylarylaminestoluenesvinylogous amides |
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| Substituents | furanorganosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundbenzenesulfonyl groupvinylogous amidebenzenesulfonamideaminosulfonyl compoundheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundtolueneamineorganooxygen compound |
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