| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:47:46 UTC |
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| Update Date | 2025-03-25 01:11:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02310644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8NO2 |
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| Molecular Mass | 138.0555 |
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| SMILES | Cc1ccccc1[N+]([O-])O |
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| InChI Key | XCFQBCRLVWXLIA-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 derivativesn-organohydroxylaminesorganic oxidesorganic oxoanionic compoundsorganopnictogen compounds |
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| Substituents | n-organohydroxylaminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganic hyponitrite |
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