Details of Eruberin B
| IUPAC | (2S,4S,5S)-2-[[(2R,4S)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | CC1=C2C(=C(C(=C1O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)C)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)[C@H](C[C@@H](O2)C5=CC=C(C=C5)OC)O |
| Inchi | WZHCAAJIMBUYAS-OLTMIKEFSA-N |
| PubChem ID | 44257137 |
| Smiles | COc1ccc([C@H]2C[C@H](O)c3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(C)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(C)c3O2)cc1 |
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| Class | Flavandiols (Leucoanthocyanidins) |
| Super Class | Flavonoids |
| Pathways | Shikimates and Phenylpropanoids |
