input word = C00043009

Metabolite InformationStructural formula
Name Snatzkein C
(-)-Snatzkein C
Formula C48H80O19
Mw 960.52938038
CAS RN 214976-88-2
C_ID C00043009 ,
InChIKey CCBYCBXQBUVXFT-OLXXCRSKNA-N
InChICode InChI=1S/C48H80O19/c1-43(2)26-11-14-47(7)27(45(26,5)13-12-28(43)65-41-38(35(57)32(54)25(20-51)64-41)66-39-36(58)33(55)30(52)23(18-49)62-39)9-8-22-29-21(44(3,4)61)10-15-48(29,17-16-46(22,47)6)42(60)67-40-37(59)34(56)31(53)24(19-50)63-40/h21-41,49-59,61H,8-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,45-,46-,47-,48+/m1/s1
SMILES CC(C)(O)[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@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeArenaria filicaulis Ref.
zoom in