input word = C00053946

Metabolite InformationStructural formula
Name Asparagoside C
Formula C39H64O13
Mw 740.43469213
CAS RN 60267-23-4
C_ID C00053946
InChIKey ZJCKMLSMXPLTKX-MMHJLWSYSA-N
InChICode InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-33(46)34(30(43)27(16-41)50-36)51-35-32(45)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-,38-,39+/m0/s1
SMILES C[C@@]12[C@@]([H])(C[C@@]3([H])[C@]2([H])[C@H](C)[C@]4(OC[C@@H](C)CC4)O3)[C@]([C@]5([H])CC1)([H])CC[C@]([C@]5(C)CC6)([H])C[C@H]6O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
zoom in