input word = C00044896

Metabolite InformationStructural formula
Name Luidiaquinoside
(+)-Luidiaquinoside
Formula C57H94O28S
Mw 1258.56523315
CAS RN 528880-40-2
C_ID C00044896 ,
InChIKey YSTQBYBAMZOJMN-LQEOKOEKNA-N
InChICode InChI=1S/C57H94O28S/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(38(63)25(6)77-52)82-54-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(33(20-58)80-54)81-53-48(41(66)37(62)24(5)78-53)83-50-42(67)39(64)35(60)22(3)75-50/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74)/t22-,23-,24-,25-,27+,28+,29+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+/m1/s1
SMILES [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)O[C@H]1[C@H](O)[C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1C[C@@H]2C(=CC[C@]3([C@H]2CC[C@@H]3[C@@](CC(=O)CC(C)C)(C)O)C)[C@@]2([C@@H]1C[C@H](CC2)OS(=O)(=O)O)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAstropectinidaePsilaster cassiope Ref.
AnimaliaLuidiidaeLuidia quinaria Ref.
zoom in



OrganismLuidia quinaria
ReferenceMarino,J.Nat.Prod.,66,(2003),515