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=C1C(=O)O[C@H]2CC(=C)[C@@H]3C[C@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C4O)C(=C)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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