| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:57 UTC |
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| Update Date | 2025-03-21 18:32:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090672 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C10H15NO2 |
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| Molecular Mass | 181.1103 |
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| SMILES | NCC(O)CCc1cccc(O)c1 |
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| InChI Key | CRGYJLLVMXHNFU-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 benzenoidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcohol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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