| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:10 UTC |
|---|
| Update Date | 2025-03-21 18:06:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062578 |
|---|
| Frequency | 49.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H19NO3 |
|---|
| Molecular Mass | 321.1365 |
|---|
| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1c[nH]c2ccccc12 |
|---|
| InChI Key | VWJBIOATUGJRJR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolestetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycletetrahydrofuranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
