| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:48 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219399 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O5 |
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| Molecular Mass | 284.1372 |
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| SMILES | COc1cc(C(O)CCCN(C)N=O)cc(O)c1OC |
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| InChI Key | WKFOZFUJWFGRLU-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsorganic n-nitroso compoundsorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol etherethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherdimethoxybenzeneorganic n-nitroso compoundorganic oxidephenylbutylamineo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundalcoholorganic nitroso compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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