| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:33 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O4S2 |
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| Molecular Mass | 286.0082 |
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| SMILES | O=[N+]([O-])c1ccc(S(=O)(=O)CCCN=C=S)cc1 |
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| InChI Key | QOHANLVUVSSMQP-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 | benzenesulfonyl compoundshydrocarbon derivativesisothiocyanatesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfones |
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| Substituents | nitroaromatic compoundisothiocyanateallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitritesulfonenitrobenzenebenzenesulfonyl group |
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