Name |
6-Cinnamoyl-1,2-digalloylglucose |
Formula |
C29H26O15 |
Mw |
614.12717016 |
CAS RN |
115746-70-8 |
C_ID |
C00055464
|
InChIKey |
QAVVLMYACCQGJA-MUZYTARRSA-N |
InChICode |
InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+/t20-,24-,25+,26-,29+/m1/s1 |
SMILES |
OC1=C(O)C=C(C(O[C@H]2[C@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4=CC=CC=C4)=O)O2)=O)C=C1O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Polygonaceae | Rheum sp. | Ref. |
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