Details of Vanicoside A
| IUPAC | [(2R,3R,4S,5R)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Canonical Smiles | CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@]2([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)COC(=O)/C=C/C5=CC=C(C=C5)O)COC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)O |
| Inchi | RNXDQKHOEWIRNH-FBMBONOOSA-N |
| PubChem ID | 6449878 |
| Smiles | COc1cc(C=CC(=O)OC[C@H]2O[C@H](O[C@@]3(COC(=O)C=Cc4ccc(O)cc4)O[C@H](COC(=O)C=Cc4ccc(O)cc4)[C@@H](O)[C@@H]3OC(=O)C=Cc3ccc(O)cc3)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C%3DCC%28%3DO%29OC%5BC%40H%5D2O%5BC%40H%5D%28O%5BC%40%40%5D3%28COC%28%3DO%29C%3DCc4ccc%28O%29cc4%29O%5BC%40H%5D%28COC%28%3DO%29C%3DCc4ccc%28O%29cc4%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D3OC%28%3DO%29C%3DCc3ccc%28O%29cc3%29%5BC%40H%5D%28OC%28C%29%3DO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C%3DCC%28%3DO%29OC%5BC%40H%5D2O%5BC%40H%5D%28O%5BC%40%40%5D3%28COC%28%3DO%29C%3DCc4ccc%28O%29cc4%29O%5BC%40H%5D%28COC%28%3DO%29C%3DCc4ccc%28O%29cc4%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D3OC%28%3DO%29C%3DCc3ccc%28O%29cc3%29%5BC%40H%5D%28OC%28C%29%3DO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%29ccc1O could not be loaded.
| Class | Cinnamic acids and derivatives |
| Super Class | Phenylpropanoids (C6-C3) |
| Pathways | Shikimates and Phenylpropanoids |