Details of Dichotomin
| IUPAC | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(6R,7S)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)OC8C(C(C(C(O8)C)O)O)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O |
| Inchi | YHKROSUJLZTZDS-IOLWVCCESA-N |
| PubChem ID | 3085030 |
| Smiles | CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28CCC1%28O%29OC2CC3C4CC%3DC5CC%28OC6OC%28CO%29C%28OC7OC%28C%29C%28OC8OC%28C%29C%28O%29C%28O%29C8O%29C%28O%29C7O%29C%28O%29C6OC6OC%28C%29C%28O%29C%28O%29C6O%29CCC5%28C%29C4CCC3%28C%29C2C1C%29COC1OC%28CO%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC%28CCC1%28O%29OC2CC3C4CC%3DC5CC%28OC6OC%28CO%29C%28OC7OC%28C%29C%28OC8OC%28C%29C%28O%29C%28O%29C8O%29C%28O%29C7O%29C%28O%29C6OC6OC%28C%29C%28O%29C%28O%29C6O%29CCC5%28C%29C4CCC3%28C%29C2C1C%29COC1OC%28CO%29C%28O%29C%28O%29C1O could not be loaded.
| Class | |
| Super Class | |
| Pathways |
