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 C1C[C@@]([C@H]2[C@@](C1)([C@H](C(=C)CC2)CCC1=CC(=O)OC1)C)(CO[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus monogynus Ref.
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OrganismMelodinus monogynus
ReferenceSethi,Phytochem.,27,(1988),2255