input word = C00003751

Metabolite InformationStructural formula
Name Messagenin
Formula C29H48O3
Mw 444.3603454
CAS RN 18211-63-7
C_ID C00003751 ,
InChIKey BSALBDFYJLSIOZ-YVLYCWOMNA-N
InChICode InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26+,27+,28+,29+/m0/s1
SMILES CC(=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus chiapensis Ref.
PlantaeFabaceaeMelilotus messanensis Ref.
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