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 C1(=CO[C@H](/C(=C/C)/[C@@H]1CC(=O)Oc1ccc(cc1)CCOC(=O)C1=CO[C@H](/C(=C/C)/[C@H]1CC(=O)Oc1ccc(cc1)CCO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
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