| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:28 UTC |
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| Update Date | 2025-03-21 18:28:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070452 |
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| Frequency | 42.7 |
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| Structure | |
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| Chemical Formula | C11H11NO5S |
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| Molecular Mass | 269.0358 |
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| SMILES | O=S(=O)(O)Oc1ccc(NCc2ccco2)cc1 |
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| InChI Key | PMLMHKWXLVNRPB-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 | furansheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | furanmonocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphenylalkylaminesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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