Details of Gomphrenin III
| IUPAC | (2S)-4-[(E)-2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |
| Canonical Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C4C[C@H](N(C4=C3)/C=C/C5=CC(=N[C@@H](C5)C(=O)O)C(=O)O)C(=O)O)O)O)O)O)O |
| Inchi | PXNIAEJRBLDIMX-KTIVJGJCSA-N |
| PubChem ID | 101105498 |
| Smiles | COc1cc(C=CC(=O)OC[C@H]2O[C@@H](Oc3cc4c(cc3O)CC(C(=O)O)N4C=Cc3cc(C(=O)O)nc(C(O)O)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
| Class | Betalain alkaloids |
| Super Class | Tyrosine alkaloids |
| Pathways | Alkaloids |
