| Name |
3,5-Di-galloyl-4-O-digalloylquinic acid |
| Formula |
C35H28O22 |
| Mw |
800.10722258 |
| CAS RN |
123134-19-0 |
| C_ID |
C00002916
, 
|
| InChIKey |
IECIGJUPCKCYMX-SXZAJWAGNA-N |
| InChICode |
InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)43)30(47)54-22-8-14(7-21(42)28(22)46)33(50)57-29-23(55-31(48)12-3-17(38)26(44)18(39)4-12)9-35(53,34(51)52)10-24(29)56-32(49)13-5-19(40)27(45)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1 |
| SMILES |
O=C(Oc1cc(C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)C[C@](O)(C(=O)O)C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Anacardiaceae | Rhus semialata  | Ref. |
|
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