| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:58 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O3 |
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| Molecular Mass | 240.1474 |
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| SMILES | COc1cc(CNCC(O)C(C)N)ccc1O |
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| InChI Key | KKIPSIHSSLVEDV-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesdialkylamineshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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