input word = C00040496

Metabolite InformationStructural formula
Name Tomentodiplacone B
Formula C26H30O7
Mw 454.19915331
CAS RN 1005765-21-8
C_ID C00040496 ,
InChIKey SHWLJHMWQFNVAC-QRTACPGMNA-N
InChICode InChI=1S/C26H30O7/c1-15(6-5-11-26(2,3)31)7-9-17-19(28)13-23-24(25(17)30)20(29)14-21(33-23)16-8-10-18(27)22(12-16)32-4/h5,7-8,10-13,21,27-28,30-31H,6,9,14H2,1-4H3/b11-5+,15-7+/t21-/m0/s1
SMILES c1(c(c(c2c(c1)O[C@@H](CC2=O)c1ccc(c(c1)OC)O)O)C/C=C(/C/C=C/C(C)(C)O)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaulowniaceaePaulownia tomentosa Ref.
zoom in