| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:58 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O3 |
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| Molecular Mass | 261.1113 |
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| SMILES | COc1ccc(CNCc2c[nH]c(=O)[nH]c2=O)cc1 |
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| InChI Key | NDWUHLUYBGKFPK-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 compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrimidonesvinylogous amides |
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| Substituents | monocyclic benzene moietyetherlactamaromatic heteromonocyclic compoundpyrimidonealkyl aryl etherpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminemethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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