input word = C00022414

Metabolite InformationStructural formula
Name Medinin
Formula C32H50O13
Mw 642.32514168
CAS RN 11052-68-9
C_ID C00022414 ,
InChIKey MNNAZMRVPBGURT-QUZDWWFGNA-N
InChICode InChI=1S/C32H50O13/c1-16-5-8-21-31(2,9-4-10-32(21,3)18(16)7-6-17-11-22(35)41-14-17)15-42-29-27(40)25(38)28(20(13-34)44-29)45-30-26(39)24(37)23(36)19(12-33)43-30/h11,18-21,23-30,33-34,36-40H,1,4-10,12-15H2,2-3H3/t18-,19+,20-,21-,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-/m0/s1
SMILES C=C1CC[C@H]2[C@@](C)(CO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus monogynus Ref.
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