Details of AVENACIN-B-2
| IUPAC | [(1S,3R,5R,6R,9S,11R,14R,15S,17S,18S,20S,21R,23R)-21-formyl-17-hydroxy-9-[(2S,3R,4S,5S)-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6,10,10,14,15,18,21-heptamethyl-2-oxahexacyclo[13.8.0.01,3.05,14.06,11.018,23]tricosan-20-yl] benzoate |
| Canonical Smiles | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)CC7C8(C3(CC(C9(C8CC(C(C9)OC(=O)C1=CC=CC=C1)(C)C=O)C)O)C)O7)C)C |
| Inchi | RTMPAEPNXWUCGZ-ITFDNFFVSA-N |
| PubChem ID | 441908 |
| Smiles | CC1(C=O)CC2C(C)(CC1OC(=O)c1ccccc1)C(O)CC1(C)C3(C)CCC4C(C)(C)C(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC3OC321 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%28C%3DO%29CC2C%28C%29%28CC1OC%28%3DO%29c1ccccc1%29C%28O%29CC1%28C%29C3%28C%29CCC4C%28C%29%28C%29C%28OC5OCC%28OC6OC%28CO%29C%28O%29C%28O%29C6O%29C%28O%29C5OC5OC%28CO%29C%28O%29C%28O%29C5O%29CCC4%28C%29C3CC3OC321/file?format=sdf&get3d=True -- CC1%28C%3DO%29CC2C%28C%29%28CC1OC%28%3DO%29c1ccccc1%29C%28O%29CC1%28C%29C3%28C%29CCC4C%28C%29%28C%29C%28OC5OCC%28OC6OC%28CO%29C%28O%29C%28O%29C6O%29C%28O%29C5OC5OC%28CO%29C%28O%29C%28O%29C5O%29CCC4%28C%29C3CC3OC321 could not be loaded.
| Class | |
| Super Class | |
| Pathways |