| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:07 UTC |
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| Update Date | 2025-03-25 01:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251975 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO9S |
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| Molecular Mass | 365.0781 |
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| SMILES | O=S(=O)(O)Oc1ccc(CNC2C(O)OC(CO)C(O)C2O)cc1 |
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| InChI Key | WWQTUCNWVLOAHJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | dialkylamineshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundmonosaccharidephenylsulfatesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminesecondary amineoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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