input word = C00051524

Metabolite InformationStructural formula
Name Meldenin
Formula C28H38O5
Mw 454.27192432
CAS RN 19865-83-9
C_ID C00051524
InChIKey KKBYMJHRFVZUIQ-UHFFFAOYNA-N
InChICode InChI=1S/C28H38O5/c1-16(29)33-22-23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,6)24(22)31/h8,11,14-15,18,20,22-24,31H,7,9-10,12-13H2,1-6H3
SMILES CC(=O)OC1C2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(=CCC3c3ccoc3)C2(C)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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