input word = C00049388

Metabolite InformationStructural formula
Name Mediasteroside M2
(-)-Mediasteroside M2
Formula C37H64O13
Mw 716.43469213
CAS RN 221290-65-9
C_ID C00049388 ,
InChIKey YKHJOBIHNUFGLM-LGKXSFHXNA-N
InChICode InChI=1S/C37H64O13/c1-17(2)25(49-34-31(45)29(43)26(50-34)16-48-33-30(44)28(42)24(41)15-47-33)7-6-18(3)20-13-22(39)32-36(20,5)11-9-27-35(4)10-8-19(38)12-21(35)23(40)14-37(27,32)46/h17-34,38-46H,6-16H2,1-5H3/t18-,19+,20-,21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34-,35+,36-,37+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@](C[C@@H]2O)([C@H]2[C@](CC1)([C@H](C[C@H]2O)[C@@H](CC[C@H](O[C@@H]1O[C@H]([C@H]([C@H]1O)O)CO[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)C(C)C)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeMediaster murrayi Ref.
zoom in