| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:39 UTC |
|---|
| Update Date | 2025-03-25 00:49:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177738 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H13NO |
|---|
| Molecular Mass | 235.0997 |
|---|
| SMILES | N#Cc1ccc2c(c1)CC(c1ccccc1)CO2 |
|---|
| InChI Key | ASPSPMUTJMKLJC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | isoflavans |
|---|
| Direct Parent | isoflavans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyransalkyl aryl ethersbenzene and substituted derivativeshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | isoflavanmonocyclic benzene moietyetherbenzopyrannitrile1-benzopyranalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromanehydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganoheterocyclic compoundorganooxygen compound |
|---|
