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 C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H]3[C@](C)(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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