Details of Chebulanin
IUPAC | 2-[13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid |
Canonical Smiles | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)OC(=O)C(C4C(C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)CC(=O)O)O |
Inchi | HPQIRFXIDGVWBA-UHFFFAOYSA-N |
PubChem ID | 75034370 |
Smiles | O=C(O)CC1C(=O)OC2C(CO)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(O)c3cc(O)c(O)c4oc(=O)c(O)c1c34)C2O |
Class | |
Super Class | |
Pathways |