| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:00:45 UTC |
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| Update Date | 2025-03-21 23:03:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00629031 |
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| Frequency | 2.5 |
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| Structure | |
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| Chemical Formula | C4H3NO2S |
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| Molecular Mass | 128.9884 |
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| SMILES | O=[N+]([O-])c1ccsc1 |
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| InChI Key | SIPCFXFCVTUAID-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiophenes |
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| Subclass | nitrothiophenes |
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| Direct Parent | 3-nitrothiophenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundheteroaromatic compound3-nitrothiopheneallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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