| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:34 UTC |
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| Update Date | 2025-03-21 17:58:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016619 |
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| Frequency | 256.8 |
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| Structure | |
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| Chemical Formula | C11H14N2O4S |
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| Molecular Mass | 270.0674 |
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| SMILES | CNCCc1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | YRNFMKZXUSXNCT-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 | azacyclic compoundsbenzenoidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | secondary aliphatic aminesulfuric acid monoesterazacycleindoleheteroaromatic compoundindole or derivativessecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundamine |
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