Details of ISOPHTHALIC-ACID
| IUPAC | (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
| Canonical Smiles | CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C |
| Inchi | MXYATHGRPJZBNA-KRFUXDQASA-N |
| PubChem ID | 442048 |
| Smiles | C=CC1(C)CCC2C(=CCC3C(C)(C(=O)O)CCCC23C)C1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DCC1%28C%29CCC2C%28%3DCCC3C%28C%29%28C%28%3DO%29O%29CCCC23C%29C1/file?format=sdf&get3d=True -- C%3DCC1%28C%29CCC2C%28%3DCCC3C%28C%29%28C%28%3DO%29O%29CCCC23C%29C1 could not be loaded.
| Class | Pimarane and Isopimarane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |