| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:13 UTC |
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| Update Date | 2025-03-21 18:41:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132316 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C12H9NO4S |
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| Molecular Mass | 263.0252 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(ccc3cc[nH]c32)c1 |
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| InChI Key | JECITXKAZSMINR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycleindoleheteroaromatic compoundindole or derivativesorganic oxidenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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