| 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 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251974 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O5S |
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| Molecular Mass | 284.0467 |
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| SMILES | O=S(=O)(O)Oc1ccc(CCc2c[nH]cn2)cc1O |
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| InChI Key | KHROPJANGKDWLG-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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