input word = C00037765

Metabolite InformationStructural formula
Name Safghanoside H
Formula C49H60O23
Mw 1016.35253823
CAS RN 482648-23-7
C_ID C00037765 ,
InChIKey WLUXLTNBQWEXEX-ZTSIFXRCNA-N
InChICode InChI=1S/C49H60O23/c1-4-28-30(32(44(61)63-3)22-65-46(28)71-48-42(59)40(57)38(55)34(20-51)69-48)18-36(53)68-27-12-8-25(9-13-27)15-17-64-45(62)33-23-66-47(72-49-43(60)41(58)39(56)35(21-52)70-49)29(5-2)31(33)19-37(54)67-26-10-6-24(7-11-26)14-16-50/h4-13,22-23,30-31,34-35,38-43,46-52,55-60H,14-21H2,1-3H3/b28-4+,29-5+/t30-,31+,34+,35+,38+,39+,40-,41-,42+,43+,46-,47-,48-,49-/m0/s1
SMILES C/C=C1C(CC(=O)Oc2ccc(CCO)cc2)C(C(=O)OCCc2ccc(OC(=O)C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C3=C/C)cc2)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
zoom in