Details of Ethyl 9-heptadecenoate
| IUPAC | butyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate |
| Canonical Smiles | CCCCOC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
| Inchi | VNLREARKISTOAD-CIWUYKSXSA-N |
| PubChem ID | 6481825 |
| Smiles | CCCCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCCCOC%28%3DO%29%5BC%40%5D1%28O%29C%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28OC%28%3DO%29C%3DCc2ccc%28O%29c%28O%29c2%29C1/file?format=sdf&get3d=True -- CCCCOC%28%3DO%29%5BC%40%5D1%28O%29C%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28OC%28%3DO%29C%3DCc2ccc%28O%29c%28O%29c2%29C1 could not be loaded.
| Class | Cinnamic acids and derivatives |
| Super Class | Phenylpropanoids (C6-C3) |
| Pathways | Shikimates and Phenylpropanoids |
