| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:59 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102942 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C12H13ClN2O4S |
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| Molecular Mass | 316.0285 |
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| SMILES | COc1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1 |
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| InChI Key | ZVVPXGPLFSAPBA-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 | alkyl aryl ethersaminosulfonyl compoundsanisolesaryl chloridesbenzenesulfonyl compoundschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | furanphenol etherorganosulfonic acid or derivativesetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearyl halideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
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