| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:21 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096471 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | COc1ccc(C(O)C(O)Cn2ccnc2)cc1 |
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| InChI Key | KLQINKQXKKAQEQ-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 | 1,2-diolsalkyl aryl ethersaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesn-substituted imidazolesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl etherimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycleheteroaromatic compoundmethoxybenzeneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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