| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:57 UTC |
|---|
| Update Date | 2025-03-25 00:52:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02191991 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C32H54N2O24 |
|---|
| Molecular Mass | 850.3067 |
|---|
| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(C(=O)O)C(NC(C)=O)C1C(O)C(O)CO |
|---|
| InChI Key | MHSXXIWVUUCITM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | tannins |
|---|
| Subclass | hydrolyzable tannins |
|---|
| Direct Parent | hydrolyzable tannins |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsacetamidescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkyl ethershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsquinic acids and derivativessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidehydrolyzable tanninalcoholcyclohexanolcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundquinic acid |
|---|
