| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:00 UTC |
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| Update Date | 2025-03-21 18:40:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131812 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C16H13NO4S |
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| Molecular Mass | 315.0565 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(Nc3ccccc3)cccc2c1 |
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| InChI Key | PMHMSHHDPVLHJJ-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 homopolycyclic compounds |
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| Alternative Parents | arylsulfatesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary aminessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundsecondary amineorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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