Details of Isomargaritene
| IUPAC | 6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
| Canonical Smiles | CC1[C@@H]([C@@H](C([C@@H](O1)OC2[C@H]([C@@H](C(O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O |
| Inchi | JIKPWRRUSIBFLE-VTGXRVFJSA-N |
| PubChem ID | 44257874 |
| Smiles | COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)c(O)cc3o2)cc1 |
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| Class | Flavones |
| Super Class | Flavonoids |
| Pathways | Shikimates and Phenylpropanoids |
