| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 15:38:56 UTC |
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| Update Date | 2025-03-25 01:08:05 UTC |
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| HMDB ID | HMDB0256059 |
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| Metabolite Identification |
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| DeepMet ID | DMID02290207 |
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| Name | p-Tolyl isocyanate |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | Cc1ccc(N=C=O)cc1 |
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| InChI Key | MGYGFNQQGAQEON-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesisocyanatesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | isocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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