input word = C00049387

Metabolite InformationStructural formula
Name Mediasteroside M1
(-)-Mediasteroside M1
Formula C38H66O13
Mw 730.4503422
CAS RN 221290-53-5
C_ID C00049387 ,
InChIKey ZCLFYFJEOWIWKN-KHNWHWIQNA-N
InChICode InChI=1S/C38H66O13/c1-18(2)26(50-34-31(45)30(44)27(51-34)17-49-35-32(47-6)29(43)25(42)16-48-35)8-7-19(3)21-14-23(40)33-37(21,5)12-10-28-36(4)11-9-20(39)13-22(36)24(41)15-38(28,33)46/h18-35,39-46H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+/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]1OC)O)O)C(C)C)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeMediaster murrayi Ref.
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