input word = C00064548

Metabolite InformationStructural formula
Name Elburzensoside A2
Formula C39H66O17
Mw 806.43000068
CAS RN 823222-17-9
C_ID C00064548
InChIKey IPRWTGWHEWMZOC-GKIXFBCRSA-N
InChICode InChI=1S/C39H66O17/c1-16(15-52-34-32(48)30(46)28(44)24(13-40)54-34)5-8-39(51)17(2)27-22(56-39)10-20-18-9-26(43)38(50)12-23(53-35-33(49)31(47)29(45)25(14-41)55-35)21(42)11-37(38,4)19(18)6-7-36(20,27)3/h16-35,40-51H,5-15H2,1-4H3/t16-,17+,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)OC2CC3C4CC(O)C5(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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