input word = C00040511

Metabolite InformationStructural formula
Name Tovophenone B
Formula C29H36O6
Mw 480.25118888
CAS RN 91387-69-8
C_ID C00040511 ,
InChIKey SCLYNFTTXATYFJ-UHFFFAOYNA-N
InChICode InChI=1S/C29H36O6/c1-16(2)11-12-18(17(3)4)14-21-26(33)24(25(32)19-9-8-10-20(30)13-19)28-22(27(21)34-7)15-23(31)29(5,6)35-28/h8-10,13,18,23,30-31,33H,1,3,11-12,14-15H2,2,4-7H3/t18-,23-/m0/s1
SMILES c1(c(c(c2c(c1C(=O)c1cc(ccc1)O)OC([C@H](C2)O)(C)C)OC)C[C@@H](C(=C)C)CCC(=C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeTovomita brevistaminea Ref.
zoom in