| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:13 UTC |
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| Update Date | 2025-03-25 00:54:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NOS |
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| Molecular Mass | 167.0405 |
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| SMILES | OC(S)=NCc1ccccc1 |
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| InChI Key | HUQOWDKSVSMMMY-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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