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 [C@H]12C(=C(C[C@@H]([C@@H]3[C@@H]1OC(=O)[C@@H]3C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C(=O)C=C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa L. Ref.
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