input word = C00049399

Metabolite InformationStructural formula
Name Solakhasoside
(-)-Solakhasoside
Formula C44H70O18
Mw 886.45621543
CAS RN 217946-00-4
C_ID C00049399 ,
InChIKey NINXZCCVHCVBGB-GLUJXIIBNA-N
InChICode InChI=1S/C44H70O18/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(62-44)14-25-23-7-6-21-13-22(8-10-41(21,4)24(23)9-11-42(25,43)5)58-40-37(61-39-35(53)33(51)30(48)19(2)57-39)36(32(50)27(15-45)59-40)60-38-34(52)31(49)26(46)17-55-38/h6,18-20,22-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,22-,23?,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43+,44-/m0/s1
SMILES C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum khasianum Ref.
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