| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:19 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N5O5S |
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| Molecular Mass | 299.0324 |
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| SMILES | Nc1nc(=O)nc(Nc2ccc(OS(=O)(=O)O)cc2)[nH]1 |
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| InChI Key | YTFRCVNACVUUCR-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 | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminotriazinesazacyclic compoundshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsprimary aminessecondary aminessulfuric acid monoesterstriazinones |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteramino-1,3,5-triazinearomatic heteromonocyclic compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycleaminotriazineheteroaromatic compoundsecondary amineorganic oxygen compoundhalo-s-triazinetriazinesulfate-esterhydrocarbon derivative1,3,5-triazinebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminetriazinoneorganooxygen compound |
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