input word = C00054362

Metabolite InformationStructural formula
Name Capsianoside IX
Formula C44H74O21
Mw 938.47225943
CAS RN 914306-82-4
C_ID C00054362
InChIKey OEXNWSIXBSIJSR-XOZHZZGWSA-N
InChICode InChI=1S/C44H74O21/c1-7-44(6,65-43-37(56)33(52)30(49)26(18-46)62-43)16-10-15-25(17-45)14-9-12-21(2)11-8-13-22(3)19-58-41-38(57)34(53)39(64-42-36(55)32(51)29(48)24(5)61-42)27(63-41)20-59-40-35(54)31(50)28(47)23(4)60-40/h7,12-13,15,23-24,26-43,45-57H,1,8-11,14,16-20H2,2-6H3/b21-12+,22-13-,25-15-/t23-,24-,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+/m0/s1
SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@](C=C)(C)CC/C=C(CO)/CC/C=C(C)/CC/C=C(CO[C@@H]2O[C@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@H]2O)/C)O[C@@H]1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in



OrganismCapsicum annuum
ReferenceDe Marino, S. et al., J. Agric. Food Chem., 2006, 54, 7508-7516 (Capsianoside IX)