| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N3O |
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| Molecular Mass | 203.1059 |
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| SMILES | COc1ccccc1NCc1cnc[nH]1 |
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| InChI Key | XEMBCBVZZZWDTQ-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl etherimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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