| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:37 UTC |
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| Update Date | 2025-03-21 18:37:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116688 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C12H19NO2 |
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| Molecular Mass | 209.1416 |
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| SMILES | COc1cc(CC(N)C(C)C)ccc1O |
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| InChI Key | SQGNWKPINIWIFF-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 | phenethylamines |
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| Direct Parent | methoxylated amphetamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol etherethermethoxylated amphetamine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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