| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:27 UTC |
|---|
| Update Date | 2025-03-25 00:53:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199989 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H18N2O3 |
|---|
| Molecular Mass | 322.1317 |
|---|
| SMILES | N#Cc1ccc2c(c1)COC2(CCCN)c1cccc(C(=O)O)c1 |
|---|
| InChI Key | VTQKRIGGXRRBKR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | ethernitrilecarboxylic acidbenzoylcarboxylic acid derivativedialkyl etherorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidcarbonitrileorganoheterocyclic compoundbenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
