input word = C00005677

Metabolite InformationStructural formula
Name Chrysosplenol C 6,4'-diglucoside
Formula C30H36O18
Mw 684.19016435
CAS RN 64190-92-7
C_ID C00005677 ,
InChIKey FDCFULFSCKUVRP-IEHJVZHQNA-N
InChICode InChI=1S/C30H36O18/c1-41-12-6-10(4-5-11(12)45-29-24(39)22(37)18(33)15(8-31)46-29)26-28(43-3)21(36)17-13(44-26)7-14(42-2)27(20(17)35)48-30-25(40)23(38)19(34)16(9-32)47-30/h4-7,15-16,18-19,22-25,29-35,37-40H,8-9H2,1-3H3/t15-,16-,18+,19+,22-,23-,24+,25+,29+,30-/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1cc(c(cc1)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeChrysosplenium tetrandrum Ref.
zoom in