| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:12 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO2S |
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| Molecular Mass | 183.0354 |
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| SMILES | CSCc1ccccc1[N+](=O)[O-] |
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| InChI Key | RGKGUSHOHQIMII-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 | benzene and substituted derivatives |
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| Subclass | nitrobenzenes |
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| Direct Parent | nitrobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | nitroaromatic compoundsulfenyl compounddialkylthioetherallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitritenitrobenzene |
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