input word = C00044224

Metabolite InformationStructural formula
Name Littoraloside
(-)-Littoraloside
Formula C32H40O17
Mw 696.22654986
CAS RN 212117-13-0
C_ID C00044224 ,
InChIKey WSPTZOHIIFSZII-SRGHYFBJNA-N
InChICode InChI=1S/C32H40O17/c1-11(12(2)47-31-28(43)26(41)23(38)19(9-34)49-31)30(44)46-10-13-6-15-21(17(36)7-13)24(39)20-14(4-3-5-16(20)35)32(15,45)29-27(42)25(40)22(37)18(8-33)48-29/h3-7,11-12,18-19,22-23,25-29,31,33-38,40-43,45H,8-10H2,1-2H3/t11-,12+,18-,19-,22-,23-,25+,26+,27+,28-,29-,31-,32+/m1/s1
SMILES [C@@H]1(O[C@H]([C@H]([C@H]([C@@H]1O)O)O)[C@@]1(c2c(C(=O)c3c1cc(cc3O)COC(=O)[C@H](C)[C@H](C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c(ccc2)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe littoralis Ref.
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