input word = C00053580

Metabolite InformationStructural formula
Name Notoginsenoside Rw1
Formula C46H78O17
Mw 902.52390107
CAS RN 1150246-91-5
C_ID C00053580
InChIKey PFOIOBZCCKEAJS-ACPZIZJSSA-N
InChICode InChI=1S/C46H78O17/c1-21(2)10-9-13-46(8,63-41-37(57)34(54)33(53)27(62-41)20-60-39-35(55)31(51)24(48)18-58-39)22-11-15-44(6)30(22)23(47)16-28-43(5)14-12-29(50)42(3,4)38(43)26(17-45(28,44)7)61-40-36(56)32(52)25(49)19-59-40/h10,22-41,47-57H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,43+,44+,45+,46-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
zoom in