Details of LIGNOCERILIC-ACID
| IUPAC | (2E)-2-[4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acid |
| Canonical Smiles | COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
| Inchi | DJAAGTPILCOZIR-MSISIIAVSA-N |
| PubChem ID | 146014676 |
| Smiles | COC(=O)C1=C(CC(=O)OCCc2ccc(O)cc2)C(=CC(=O)O)C(OC2OC(CO)C(O)C(O)C2O)OC1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C1%3DC%28CC%28%3DO%29OCCc2ccc%28O%29cc2%29C%28%3DCC%28%3DO%29O%29C%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29OC1/file?format=sdf&get3d=True -- COC%28%3DO%29C1%3DC%28CC%28%3DO%29OCCc2ccc%28O%29cc2%29C%28%3DCC%28%3DO%29O%29C%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29OC1 could not be loaded.
| Class | Secoiridoid monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |