| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:59 UTC |
|---|
| Update Date | 2025-03-25 00:59:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235592 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H17NO6 |
|---|
| Molecular Mass | 343.1056 |
|---|
| SMILES | COc1ccc(C2NC(C(=O)O)C(O)c3cc4c(cc32)OCO4)cc1 |
|---|
| InChI Key | JMQAMEVAVYUHFM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | 1-phenyltetrahydroisoquinolines |
|---|
| Direct Parent | 1-phenyltetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundsbenzodioxolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivative1-phenyltetrahydroisoquinolinebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzodioxolealcoholsecondary aliphatic amineazacyclehydroxy acidsecondary aminemethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
