| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:55 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205633 |
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| Frequency | 0.5 |
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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 | NS(=O)(=O)c1ccc(NCc2ccc(CO)o2)cc1Cl |
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| InChI Key | GRSHUMUKKVYPMY-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 | aminosulfonyl compoundsaromatic alcoholsaryl chloridesbenzenesulfonyl compoundschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | aromatic alcoholfuranorganosulfonic acid or derivativesaromatic heteromonocyclic compoundorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzenealcoholbenzenesulfonamideaminosulfonyl compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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