input word = C00044329

Metabolite InformationStructural formula
Name Succulentoside C
Formula C56H94O25
Mw 1166.60841856
CAS RN 214058-90-9
C_ID C00044329 ,
InChIKey YWPRMORGJPMPRS-LOLYVXKSNA-N
InChICode InChI=1S/C56H94O25/c1-51(2)32(78-50-44(81-49-40(69)37(66)36(65)30(17-57)77-49)43(28(62)21-75-50)80-47-39(68)35(64)26(60)19-73-47)12-13-53(5)31-11-14-54(6)23-10-9-22(52(3,4)71)33(23)29(16-56(54,8)55(31,7)15-24(58)45(51)53)76-48-41(70)42(27(61)20-74-48)79-46-38(67)34(63)25(59)18-72-46/h22-50,57-71H,9-21H2,1-8H3/t22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-,48-,49-,50-,53+,54+,55+,56+/m0/s1
SMILES CC(C)(O)[C@H]1CC[C@H]2[C@H]1[C@@H](O[C@@H]1OCC(O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]1O)C[C@@]1(C)[C@]3(C)C[C@H](O)[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePolycarpon succulentum Ref.
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OrganismPolycarpon succulentum
ReferenceMeselhy,Phytochem.,48,(1998),1415