| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:21 UTC |
|---|
| Update Date | 2025-03-21 18:38:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123149 |
|---|
| Frequency | 21.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N2O5 |
|---|
| Molecular Mass | 240.0746 |
|---|
| SMILES | O=c1ccn(C2OCC3C(CO)OC32)c(=O)[nH]1 |
|---|
| InChI Key | VVJBCMFOGLVCFJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxepanes |
|---|
| Subclass | 1,4-dioxepanes |
|---|
| Direct Parent | 1,4-dioxepanes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary alcoholspyrimidonestetrahydrofuransvinylogous amides |
|---|
| Substituents | etherlactampyrimidonedialkyl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compoundoxacycleorganic oxygen compoundoxetanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
