input word = C00034019

Metabolite InformationStructural formula
Name Lactuside C
Formula C21H28O9
Mw 424.17333249
CAS RN 112408-66-9
C_ID C00034019 ,
InChIKey HUJZRYXCOXOEHU-KMAOQMCYNA-N
InChICode InChI=1S/C21H28O9/c1-7-4-10(23)13-8(2)5-11(15-9(3)20(27)30-19(15)14(7)13)28-21-18(26)17(25)16(24)12(6-22)29-21/h4,9,11-12,14-19,21-22,24-26H,5-6H2,1-3H3/t9-,11+,12-,14+,15-,16-,17+,18-,19-,21-/m1/s1
SMILES CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3C(C)C(=O)O[C@@H]3[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
zoom in