input word = C00044223

Metabolite InformationStructural formula
Name Littoraloin
(-)-Littoraloin
Formula C28H32O13
Mw 576.18429111
CAS RN 179983-84-7
C_ID C00044223 ,
InChIKey DNJXORJQFHNALC-STOHQLQQNA-N
InChICode InChI=1S/C28H32O13/c1-11(12(2)29)27(37)40-9-14-7-16-21(18(32)8-14)23(34)20-15(5-4-6-17(20)31)28(16,38)26-25(36)24(35)22(33)19(41-26)10-39-13(3)30/h4-8,11-12,19,22,24-26,29,31-33,35-36,38H,9-10H2,1-3H3/t11-,12+,19-,22-,24+,25-,26-,28+/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@H](C)O)C)c(ccc2)O)O)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe littoralis Ref.
zoom in



OrganismAloe littoralis
ReferenceDagne,Phytochem.,48,(1998),903