input word = C00046824

Metabolite InformationStructural formula
Name Mimusopside A
Formula C47H76O19
Mw 944.49808025
CAS RN 173792-52-4
C_ID C00046824 ,
InChIKey JUXWBGYLESHCHB-UHFFFAOYNA-N
InChICode InChI=1S/C47H76O19/c1-20-28(53)31(56)33(58)38(62-20)64-35-29(54)25(52)18-61-40(35)66-41(60)47-12-10-42(2,3)14-22(47)21-8-9-27-43(4)15-24(51)37(65-39-34(59)32(57)30(55)26(17-48)63-39)44(5,19-49)36(43)23(50)16-46(27,7)45(21,6)11-13-47/h8,20,22-40,48-59H,9-19H2,1-7H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39-,40+,43+,44+,45-,46+,47+/m1/s1
SMILES [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)O[C@H]1[C@@H](C[C@@]2([C@H]([C@@]1(CO)C)[C@H](C[C@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1OC[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C)O)O)C)C)O)C)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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