input word = C00064168

Metabolite InformationStructural formula
Name Coagulin L
Formula C34H50O12
Mw 650.33022706
CAS RN 216164-64-6
C_ID C00064168
InChIKey SYYXVJIFABSJBU-MJJWKRKWSA-N
InChICode InChI=1S/C34H50O12/c1-16-12-24(46-28(40)17(16)2)32(5,41)34(43)11-10-33(42)21-7-6-18-13-19(44-29-27(39)26(38)25(37)22(15-35)45-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41-43H,7-15H2,1-5H3/t19-,20+,21-,22-,24-,25-,26+,27-,29-,30+,31+,32+,33-,34+/m1/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
zoom in