input word = C00033331

Metabolite InformationStructural formula
Name Quadranoside IX
(+)-Quadranoside IX
Formula C43H62O16
Mw 834.40378593
CAS RN 297141-60-7
C_ID C00033331 ,
InChIKey KTOMTVREHDYENB-RXRMLSIQNA-N
InChICode InChI=1S/C43H62O16/c1-19-9-10-43(37(55)59-36-31(52)30(51)29(50)26(17-44)58-36)12-11-40(4)21(32(43)42(19,6)56)7-8-27-38(2)15-25(48)34(53)39(3,33(38)24(47)16-41(27,40)5)18-57-35(54)20-13-22(45)28(49)23(46)14-20/h7,13-14,19,24-27,29-34,36,44-53,56H,8-12,15-18H2,1-6H3/t19-,24-,25-,26-,27-,29-,30+,31-,32-,33-,34+,36+,38-,39+,40-,41-,42-,43+/m1/s1
SMILES [C@@]12([C@H]([C@@]([C@H]([C@@H](C2)O)O)(COC(=O)c2cc(c(c(c2)O)O)O)C)[C@@H](C[C@@]2([C@@H]1CC=C1[C@]2(CC[C@@]2([C@H]1[C@@]([C@@H](CC2)C)(O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
zoom in