input word = C00008689

Metabolite InformationStructural formula
Name Callunin
Formula C21H22O12
Mw 466.11112617
CAS RN 83905-64-0
C_ID C00008689 ,
InChIKey OKZBQVBKBLCUKP-DRCWIEQANA-N
InChICode InChI=1S/C21H22O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15-18,21-26,28-30H,6H2/t11-,13-,15+,16-,17-,18-,21+/m1/s1
SMILES c1c(c2c(c(c1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]([C@@H](C2=O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCalluna vulgaris Ref.
zoom in