input word = C00055464

Metabolite InformationStructural formula
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
PlantaePolygonaceaeRheum sp. Ref.
zoom in