| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:30 UTC |
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| Update Date | 2025-03-21 18:36:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109163 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4 |
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| Molecular Mass | 227.1158 |
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| SMILES | COc1cc(CC(N)C(O)CO)ccc1O |
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| InChI Key | DWBBMTJCOFNAMP-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganonitrogen compoundorganopnictogen compoundprimary alcohol1,2-diolalcoholmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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