Details of Monodemalonylmonardaein
| IUPAC | 3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid |
| Canonical Smiles | C1=CC(=CC=C1/C=C/C(=O)OCC2[C@@H](C(C([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5C([C@H]([C@@H](C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O |
| Inchi | SVWGZAOFZPHNJL-WGFRBSFMSA-O |
| PubChem ID | 44256654 |
| Smiles | O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4OC(COC(=O)C=Cc5ccc(O)cc5)[C@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O |
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