input word = C00052827

Metabolite InformationStructural formula
Name Aspafilioside C
Formula C49H82O22
Mw 1022.52977431
CAS RN 131123-74-5
C_ID C00052827
InChIKey GNLNTGLCBAHLPE-NAZMWSLJSA-N
InChICode InChI=1S/C49H82O22/c1-20(16-63-44-40(60)36(56)35(55)30(15-50)68-44)7-12-49(62)21(2)32-29(71-49)14-26-24-6-5-22-13-23(8-10-47(22,3)25(24)9-11-48(26,32)4)67-46-41(61)37(57)42(70-45-39(59)34(54)28(52)18-65-45)31(69-46)19-66-43-38(58)33(53)27(51)17-64-43/h20-46,50-62H,5-19H2,1-4H3/t20-,21-,22+,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+/m0/s1
SMILES O[C@@H]([C@H](O)[C@H]1O)CO[C@H]1O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3C[C@](CC[C@]4([H])[C@]5([H])CC[C@@]6(C)[C@@]4([H])C[C@@]7([H])[C@]6([H])[C@H](C)[C@](CC[C@H](C)CO[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)(O)O7)([H])[C@]5(C)CC3)O[C@@H]2CO[C@H]9[C@H](O)[C@@H](O)[C@@H](O)CO9
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus cochinchinensis Ref.
PlantaeAsparagaceaeAsparagus racemosus Ref.
zoom in



OrganismAsparagus cochinchinensis
ReferenceJaiswal, Y. et al., Phytochem. Anal., 25, (2014), 514-528.