Details of GLUCOVANILLIC-ACID
| IUPAC | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
| Canonical Smiles | CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| Inchi | RFDAIACWWDREDC-FRVQLJSFSA-N |
| PubChem ID | 10140 |
| Smiles | CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28CCC%28%3DO%29NCC%28%3DO%29O%29C1CCC2C3C%28O%29CC4CC%28O%29CCC4%28C%29C3CC%28O%29C12C/file?format=sdf&get3d=True -- CC%28CCC%28%3DO%29NCC%28%3DO%29O%29C1CCC2C3C%28O%29CC4CC%28O%29CCC4%28C%29C3CC%28O%29C12C could not be loaded.
| Class | Cholane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |