input word = C00064551

Metabolite InformationStructural formula
Name Elburzensoside D2
Formula C50H84O25
Mw 1084.53016824
CAS RN 823222-20-4
C_ID C00064551
InChIKey BWIDGTLWDLLJGY-XCIPHGBOSA-N
InChICode InChI=1S/C50H84O25/c1-19(17-67-43-38(62)35(59)33(57)28(14-51)70-43)5-10-50(66)20(2)31-26(75-50)11-23-21-6-9-49(65)13-27(24(54)12-48(49,4)22(21)7-8-47(23,31)3)69-45-39(63)36(60)41(30(16-53)72-45)73-46-40(64)42(34(58)29(15-52)71-46)74-44-37(61)32(56)25(55)18-68-44/h19-46,51-66H,5-18H2,1-4H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48-,49-,50+/m1/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5(O)CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium elburzense Ref.
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