| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:50 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200912 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23NO4 |
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| Molecular Mass | 329.1627 |
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| SMILES | COc1ccc2c(c1)COC2(CCCN)c1ccc(O)c(OC)c1 |
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| InChI Key | YKRMEBPJZSKRRQ-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 benzenoidsalkyl aryl ethersanisolesdialkyl ethershydrocarbon derivativesisocoumaransmethoxybenzenesmethoxyphenolsmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherdialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundmethoxybenzeneoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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