| 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 | DMID02205636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O9S |
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| Molecular Mass | 378.0733 |
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| SMILES | NS(=O)(=O)c1ccc(NC2C(O)OC(CO)C(O)C2O)c(C(=O)O)c1 |
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| InChI Key | OIMLRAXNKIMYGP-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 derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsoxanesphenylalkylaminesprimary alcoholssecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylmonosaccharideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneprimary alcoholorganoheterocyclic compoundbenzenesulfonyl groupalcoholvinylogous amidebenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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