| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:28:55 UTC |
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| Update Date | 2025-03-25 00:42:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02130205 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | Cc1cc(N=O)ccc1O |
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| InChI Key | PMTVEXBJLIRTEJ-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 | phenols |
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| Subclass | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsc-nitroso compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstoluenes |
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| Substituents | monocyclic benzene moietyorganic nitroso compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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