| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:02:41 UTC |
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| Update Date | 2025-03-21 20:11:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00349316 |
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| Frequency | 5.4 |
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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 | OC(O)=Nc1ccccc1 |
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| InChI Key | PYXFIPIWDOBMOV-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 compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic 1,3-dipolar compoundorganic nitrogen compoundorganooxygen compoundpropargyl-type 1,3-dipolar organic compound |
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