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 CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3CO[C@@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)[C@H]7CC[C@]89C(=O)O[C@@](C)(/C=CC=C(C)C)[C@H]8[C@@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@@H](OS(=O)(=O)O)[C@@H]4O)[C@H](O)[C@H]3O)OC[C@H]2O)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mensamria intercedens Ref.
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