Details of Gadain
| IUPAC | (3Z,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one |
| Canonical Smiles | C1[C@H](/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)O1)CC4=CC5=C(C=C4)OCO5 |
| Inchi | CMJGAYUQSLJSCR-IJENKCAZSA-N |
| PubChem ID | 100949515 |
| Smiles | O=C1OC[C@@H](Cc2ccc3c(c2)OCO3)/C1=C/c1ccc2c(c1)OCO2 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC1OC%5BC%40%40H%5D%28Cc2ccc3c%28c2%29OCO3%29/C1%3DC/c1ccc2c%28c1%29OCO2/file?format=sdf&get3d=True -- O%3DC1OC%5BC%40%40H%5D%28Cc2ccc3c%28c2%29OCO3%29/C1%3DC/c1ccc2c%28c1%29OCO2 could not be loaded.
| Class | Dibenzylbutyrolactone lignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |
