input word = C00046082

Metabolite InformationStructural formula
Name Liouvilloside B
(-)-Liouvilloside B
Formula C56H90O32S3
Mw 1370.45773297
CAS RN 347894-53-5
C_ID C00046082 ,
InChIKey GHVTXBCGOPYFKA-BNWSBSFPNA-N
InChICode InChI=1S/C56H90O32S3/c1-24(2)12-11-17-55(9)46-29(80-26(4)57)20-54(8)28-13-14-33-52(5,6)34(16-18-53(33,7)27(28)15-19-56(46,54)51(65)87-55)83-50-45(37(60)32(21-76-50)88-91(72,73)74)86-47-39(62)38(61)42(25(3)79-47)84-49-41(64)44(36(59)31(82-49)23-78-90(69,70)71)85-48-40(63)43(75-10)35(58)30(81-48)22-77-89(66,67)68/h13,24-25,27,29-50,58-64H,11-12,14-23H2,1-10H3,(H,66,67,68)(H,69,70,71)(H,72,73,74)/t25-,27+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47+,48+,49+,50+,53-,54+,55+,56-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COS(=O)(=O)O)O[C@H]1[C@H](O)[C@H](O[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)CCCC(C)C)OC(=O)C)C)C)O)COS(=O)(=O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Staurocucumis liouvillei Ref.
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