Details of Merremoside B
| IUPAC | [4,5-dihydroxy-6-[4-hydroxy-2-methyl-5-(2-methylpropanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] 2-methylpropanoate |
| Canonical Smiles | CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)OC(=O)C(C)C)O)O)O)OC(=O)C(C)C)C)OC5C(OC(O1)C(C5O)O)C)O |
| Inchi | VTTAWLYKUVJDMQ-UHFFFAOYSA-N |
| PubChem ID | 3082731 |
| Smiles | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(OC(C)C2OC2OC(C)C(OC3OC(C)C(OC(=O)C(C)C)C(O)C3O)C(O)C2OC(=O)C(C)C)OC2C(C)OC(O1)C(O)C2O |
| Class | Resin glycosides |
| Super Class | Fatty acyls |
| Pathways | Fatty acids |