input word = C00020940

Metabolite InformationStructural formula
Name Macrocliniside D
Formula C27H38O13
Mw 570.2312413
CAS RN 94474-64-3
C_ID C00020940 ,
InChIKey WVEOFQOWXHUECI-NDMZSPQLNA-N
InChICode InChI=1S/C27H38O13/c1-9-4-16-14(11(3)25(35)36-16)5-13-10(2)15(6-12(9)13)37-27-23(34)24(20(31)18(8-29)39-27)40-26-22(33)21(32)19(30)17(7-28)38-26/h12-24,26-34H,1-8H2/t12-,13-,14+,15-,16-,17+,18-,19+,20+,21-,22-,23+,24-,26-,27+/m0/s1
SMILES [C@@H]12[C@@H](C[C@H]3[C@H](CC1=C)OC(=O)C3=C)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
zoom in