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 CC(C)CC(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAstropectinidaePsilaster cassiope Ref.
AnimaliaLuidiidaeLuidia quinaria Ref.
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