input word = C00042618

Metabolite InformationStructural formula
Name Intercedenside G
(-)-Intercedenside G
Formula C54H82O25S
Mw 1162.4865889
CAS RN 852804-08-1
C_ID C00042618 ,
InChIKey OILQFPLFVGFKJM-WBHGKCDKNA-N
InChICode InChI=1S/C54H82O25S/c1-24(2)11-10-16-53(8)44-29(72-25(3)56)19-52(7)27-12-13-33-50(4,5)34(15-17-51(33,6)26(27)14-18-54(44,52)49(64)78-53)75-48-43(37(60)32(23-71-48)79-80(65,66)67)77-45-38(61)35(58)31(22-70-45)74-46-39(62)41(28(57)21-69-46)76-47-40(63)42(68-9)36(59)30(20-55)73-47/h10-12,16,26,28-48,55,57-63H,13-15,17-23H2,1-9H3,(H,65,66,67)/b16-10-/t26-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,51+,52-,53+,54+/m0/s1
SMILES C1[C@H]2C(=CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@@H]2OC[C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@@H](CO2)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)OC)O)CO)O)O)O)O)OS(=O)(=O)O)C)[C@]2([C@]3(C1)[C@H]([C@H](C2)OC(=O)C)[C@@](OC3=O)(C)/C=C\C=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mensamria intercedens Ref.
zoom in