| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:54 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O2 |
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| Molecular Mass | 206.1055 |
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| SMILES | COc1cc(CN(C)CC#N)ccc1O |
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| InChI Key | WTXKKXBRFDVTPA-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 ethersalpha-aminonitrilesanisolesaralkylaminesbenzylamineshydrocarbon derivativesmethoxybenzenesorganopnictogen compoundsphenoxy compoundsphenylmethylaminestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyethernitrile1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraralkylamineorganonitrogen compoundorganopnictogen compoundalpha-aminonitrilecarbonitriletertiary aminetertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundphenylmethylamineorganic oxygen compoundbenzylamineanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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