Details of Sanguiin H-4
| IUPAC | [(10R,11R,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl] 3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@@H]2[C@H]3[C@H]([C@@H]([C@H](O2)CO)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O |
| Inchi | MBPYHNAWMKVREM-NONVESTASA-N |
| PubChem ID | 13917514 |
| Smiles | O=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]21)c1cc(O)c(O)c(O)c1 |
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| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |
