input word = C00044851

Metabolite InformationStructural formula
Name Lactucaside
(-)-Lactucaside
Formula C26H32O13
Mw 552.18429111
CAS RN 541547-02-8
C_ID C00044851 ,
InChIKey PVLQCQIILHIDGG-APGKASLVNA-N
InChICode InChI=1S/C26H32O13/c1-34-14-7-10(3-5-12(14)28)22-17-18(23(37-24(17)33)11-4-6-13(29)15(8-11)35-2)25(38-22)39-26-21(32)20(31)19(30)16(9-27)36-26/h3-8,16-33H,9H2,1-2H3/t16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+/m1/s1
SMILES c1cc(cc(c1O)OC)[C@@H]1[C@@H]2[C@H]([C@@H](O1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[C@H](O[C@H]2O)c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca indica Ref.
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OrganismLactuca indica
ReferenceHou,J.Nat.Prod.,66,(2003),625