input word = C00044817

Metabolite InformationStructural formula
Name Intercedenside A
(-)-Intercedenside A
Formula C55H84O25S
Mw 1176.50223897
CAS RN 588728-73-8
C_ID C00044817 ,
InChIKey GBEUEOJLHXJGHV-OBIGHYDZNA-N
InChICode InChI=1S/C55H84O25S/c1-24(2)12-11-17-54(9)45-30(73-26(4)57)20-53(8)28-13-14-33-51(5,6)34(16-18-52(33,7)27(28)15-19-55(45,53)50(65)79-54)75-49-44(36(60)32(23-71-49)80-81(66,67)68)78-47-38(62)37(61)41(25(3)72-47)76-46-39(63)42(29(58)22-70-46)77-48-40(64)43(69-10)35(59)31(21-56)74-48/h11-13,17,25,27,29-49,56,58-64H,14-16,18-23H2,1-10H3,(H,66,67,68)/b17-11+/t25-,27-,29-,30+,31-,32-,33+,34+,35-,36+,37+,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+,52-,53+,54-,55-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@H]1[C@@H](O)[C@H]([C@@H](O[C@@H]1C)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)OS(=O)(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@@]23[C@]1(C[C@@H]([C@@H]2[C@](OC3=O)(/C=C/C=C(C)C)C)OC(=O)C)C)C)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mensamria intercedens Lampert Ref.
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