input word = C00056842

Metabolite InformationStructural formula
Name Rhodomyrtosone C
Formula C41H54O8
Mw 674.3818687
CAS RN 1079988-18-3
C_ID C00056842
InChIKey HBDHPJPEHQRJMY-FGZHOGPDSA-N
InChICode InChI=1S/C41H54O8/c1-18(2)15-21-24-29(43)28(23(42)17-20(5)6)31-25(30(24)48-34-26(21)32(44)38(7,8)36(46)40(34,11)12)22(16-19(3)4)27-33(45)39(9,10)37(47)41(13,14)35(27)49-31/h18-22,43H,15-17H2,1-14H3/t21-,22-/m1/s1
SMILES CC(C)CC(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3CC(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeRhodomyrtus tomentosa Ref.
zoom in