input word = C00020725

Metabolite InformationStructural formula
Name Macrocliniside G
Formula C21H30O8
Mw 410.19406794
CAS RN 100187-65-3
C_ID C00020725 ,
InChIKey KOPXWIMKXSMOBB-ZNRANENLNA-N
InChICode InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h4,11-18,20,22-25H,2,5-8H2,1,3H3/t11-,12+,13+,14-,15+,16-,17+,18-,20-,21+/m0/s1
SMILES C1=C([C@H]2[C@@H](C1)[C@](CC[C@@H]1[C@@H]2OC(=O)C1=C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
zoom in