input word = C00014089

Metabolite InformationStructural formula
Name Vitexin 3''-O-acetate
Formula C23H22O11
Mw 474.11621155
CAS RN 439692-86-1
C_ID C00014089 ,
InChIKey DCZCJNOGCQKNNV-QHVHYTHPNA-N
InChICode InChI=1S/C23H22O11/c1-9(25)32-23-19(30)16(8-24)34-22(20(23)31)18-13(28)6-12(27)17-14(29)7-15(33-21(17)18)10-2-4-11(26)5-3-10/h2-7,16,19-20,22-24,26-28,30-31H,8H2,1H3/t16-,19-,20+,22+,23+/m1/s1
SMILES c1(oc2c(c(=O)c1)c(cc(c2[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)C)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus pinnatifida Ref.
zoom in