input word = C00039613

Metabolite InformationStructural formula
Name Lemnaloside C
Formula C28H46O9
Mw 526.31418307
CAS RN 942153-40-4
C_ID C00039613 ,
InChIKey HEORXRPTBCZNRT-CXELUIBGNA-N
InChICode InChI=1S/C28H46O9/c1-15(2)22(37-33)10-8-17(4)19-11-12-28(6,21-9-7-16(3)13-20(19)21)36-27-26(32)25(31)24(30)23(35-27)14-34-18(5)29/h13,17,19-27,30-33H,1,7-12,14H2,2-6H3/t17-,19+,20+,21+,22+,23-,24+,25+,26-,27+,28+/m1/s1
SMILES C=C(C)C(CC[C@@H](C)[C@@H]1CC[C@](C)(O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@H]2CCC(C)=C[C@@H]12)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lemnalia sp. Ref.
zoom in