input word = C00032146

Metabolite InformationStructural formula
Name Sinocrassuloside V
(+)-Sinocrassuloside V
Formula C54H84O25
Mw 1132.53016824
CAS RN 724784-99-0
C_ID C00032146 ,
InChIKey FQHYAQZZZKQBLM-PUZKMNIGNA-N
InChICode InChI=1S/C54H84O25/c1-24(44(69)70)25-11-13-52(6)31(51(25,5)12-8-16-55)10-9-26-27-17-49(2,3)14-15-54(27,32(57)18-53(26,52)7)48(71)79-47-42(68)43(78-46-41(67)38(64)35(61)28(21-56)75-46)37(63)30(77-47)23-74-45-40(66)39(65)36(62)29(76-45)22-73-34(60)20-50(4,72)19-33(58)59/h9,25,27-32,35-43,45-47,55-57,61-68,72H,1,8,10-23H2,2-7H3,(H,58,59)(H,69,70)/t25-,27-,28+,29+,30+,31+,32+,35+,36+,37+,38-,39-,40+,41+,42+,43-,45+,46-,47-,50+,51+,52+,53+,54+/m0/s1
SMILES C=C(C(=O)O)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]32C)[C@@]1(C)CCCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula asclepiadea FRANCH Ref.
zoom in