input word = C00049390

Metabolite InformationStructural formula
Name Mediasteroside M4
(-)-Mediasteroside M4
Formula C39H68O13
Mw 744.46599226
CAS RN 221290-78-4
C_ID C00049390 ,
InChIKey NETLMTSCRLRYFW-RSFPBESINA-N
InChICode InChI=1S/C39H68O13/c1-19(2)27(50-36-32(30(45)28(17-40)51-36)52-35-33(48-7)31(47-6)26(44)18-49-35)9-8-20(3)22-15-24(42)34-38(22,5)13-11-29-37(4)12-10-21(41)14-23(37)25(43)16-39(29,34)46/h19-36,40-46H,8-18H2,1-7H3/t20-,21+,22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34-,35+,36-,37+,38-,39+/m1/s1
SMILES CO[C@@H]1[C@@H](OC)[C@H](O[C@H]2[C@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)C[C@@H]5[C@@H](O)C[C@]34O)C(C)C)O[C@@H](CO)[C@@H]2O)OC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeMediaster murrayi Ref.
zoom in