| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:23:01 UTC |
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| Update Date | 2025-03-21 20:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00397588 |
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| Frequency | 4.6 |
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| Structure | |
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| Chemical Formula | C7H7NO |
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| Molecular Mass | 121.0528 |
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| SMILES | Cc1ccccc1N=O |
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| InChI Key | TWLBRQVYXPMCFK-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 | c-nitroso compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organic nitroso compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeorganic nitrogen compoundtoluene |
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