| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:49 UTC |
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| Update Date | 2025-03-21 18:31:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087984 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C18H24N2O5S |
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| Molecular Mass | 380.1406 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 |
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| InChI Key | NXCXMEFTCIANSI-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 alkylarylaminesvinylogous 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 compoundamineorganooxygen compound |
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