| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:55 UTC |
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| Update Date | 2025-03-21 18:37:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117455 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | CC(C)C1(c2ccc(O)cc2)N=C(O)N=C1O |
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| InChI Key | TZQDRBQRVOBQCD-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesimidazolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycle1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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