| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:00 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201285 |
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| Frequency | 0.5 |
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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 | COc1ccc(C2(C)CC(O)=NC(O)=N2)cc1 |
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| InChI Key | JALLAMNZQXNGEK-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundshydrocarbon derivativeshydropyrimidinesmethoxybenzenesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundazacycle5,6-dihydropyrimidineorganic 1,3-dipolar compoundalkyl aryl ethermethoxybenzenepropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundanisoleorganonitrogen compoundhydropyrimidineorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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