| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:52 UTC |
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| Update Date | 2025-03-21 18:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033433 |
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| Frequency | 108.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4S |
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| Molecular Mass | 284.0831 |
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| SMILES | CN(C)CCc1c[nH]c2cc(OS(=O)(=O)O)ccc12 |
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| InChI Key | IWBOOHQXCWOWIP-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesterstrialkylamines |
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| Substituents | sulfuric acid monoesterazacycleindoleheteroaromatic compoundtertiary aliphatic amineindole or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esteraminetertiary amineorganoheterocyclic compoundorganooxygen compound |
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