| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:56 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO3 |
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| Molecular Mass | 271.1208 |
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| SMILES | NCCCC1(c2ccccc2)Oc2ccc(O)cc2O1 |
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| InChI Key | RQWSUSJNOVEADJ-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzodioxoleshydrocarbon derivativesketalsmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidoxacyclephenylbutylamineorganic oxygen compoundacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
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