input word = C00064550

Metabolite InformationStructural formula
Name Elburzensoside C2
Formula C39H66O16
Mw 790.43508606
CAS RN 823222-19-1
C_ID C00064550
InChIKey URCCSSSNMZAVQK-WVXAUGHASA-N
InChICode InChI=1S/C39H66O16/c1-17(16-51-34-32(47)30(45)28(43)25(14-40)53-34)5-10-39(50)18(2)27-23(55-39)11-21-19-6-9-38(49)13-24(52-35-33(48)31(46)29(44)26(15-41)54-35)22(42)12-37(38,4)20(19)7-8-36(21,27)3/h17-35,40-50H,5-16H2,1-4H3/t17-,18+,19-,20+,21+,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+/m1/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5(O)CC(OC6OC(CO)C(O)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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