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[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)c6cc(O)c(O)c(O)c6)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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