input word = C00049389

Metabolite InformationStructural formula
Name Mediasteroside M3
(-)-Mediasteroside M3
Formula C39H68O13
Mw 744.46599226
CAS RN 221290-77-3
C_ID C00049389 ,
InChIKey KJVFHOKKRXQBHC-PTPYBONDNA-N
InChICode InChI=1S/C39H68O13/c1-19(2)26(51-35-32(45)30(43)28(52-35)18-50-36-33(48-7)31(44)27(47-6)17-49-36)9-8-20(3)22-15-24(41)34-38(22,5)13-11-29-37(4)12-10-21(40)14-23(37)25(42)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]2O[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)[C@H](O)[C@H]2O)OC[C@@H](OC)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeMediaster murrayi Ref.
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