Details of VALOLAGINIC-ACID
| IUPAC | 2-[23-(carboxymethyl)-7,8,9,12,13,14,26,27,28,31,32,33,42-tridecahydroxy-4,17,22,36,40-pentaoxo-3,18,21,37,39-pentaoxaoctacyclo[23.13.3.134,38.02,20.05,10.011,16.029,41.030,35]dotetraconta-5,7,9,11,13,15,25,27,29(41),30(35),31,33-dodecaen-24-yl]-2-hydroxyacetic acid |
| Canonical Smiles | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6O)O)O)C(C(C(=O)O2)CC(=O)O)C(C(=O)O)O)C(=O)O3)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
| Inchi | PSPMKMHPOPULBF-UHFFFAOYSA-N |
| PubChem ID | 157009992 |
| Smiles | O=C(O)CC1C(=O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3c(c(O)c(O)c(O)c3C1C(=O)C(O)O)-c1c(O)c(O)c(O)c3c1C(=O)OC2C3O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/O%3DC%28O%29CC1C%28%3DO%29OC2COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OC2C2OC%28%3DO%29c3c%28c%28O%29c%28O%29c%28O%29c3C1C%28%3DO%29C%28O%29O%29-c1c%28O%29c%28O%29c%28O%29c3c1C%28%3DO%29OC2C3O/file?format=sdf&get3d=True -- O%3DC%28O%29CC1C%28%3DO%29OC2COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29OC2C2OC%28%3DO%29c3c%28c%28O%29c%28O%29c%28O%29c3C1C%28%3DO%29C%28O%29O%29-c1c%28O%29c%28O%29c%28O%29c3c1C%28%3DO%29OC2C3O could not be loaded.
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