| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:12 UTC |
|---|
| Update Date | 2025-03-21 18:40:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00129923 |
|---|
| Frequency | 19.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H30N2O10 |
|---|
| Molecular Mass | 458.19 |
|---|
| SMILES | CN(CC(=O)O)CC(O)C(Cc1ccccc1)NC(=O)OC1C(O)OC(CO)C(O)C1O |
|---|
| InChI Key | GSWGUAUEESINLU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsalpha amino acidsamino acidsamphetamines and derivativescarbamate esterscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstrialkylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativesaccharideorganic oxidephenylbutylaminealpha-amino acidorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholtertiary amineorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivative1,2-aminoalcoholtertiary aliphatic aminecarbamic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
