| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:13 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO6S |
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| Molecular Mass | 321.0307 |
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| SMILES | O=S(=O)(O)Oc1c(-c2ccc(O)cc2)[nH]c2ccc(O)cc12 |
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| InChI Key | DBKAZFHYFHEAEZ-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 benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidindole or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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