| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:28 UTC |
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| Update Date | 2025-03-21 17:58:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011913 |
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| Frequency | 384.8 |
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| Structure | |
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| Chemical Formula | C8H7NO5S |
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| Molecular Mass | 229.0045 |
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| SMILES | O=S(=O)(O)Oc1c[nH]c2c(O)cccc12 |
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| InChI Key | WIPWGCBKXQVUFJ-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidindole or derivatives1-hydroxy-4-unsubstituted benzenoidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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