input word = C00008690

Metabolite InformationStructural formula
Name 2''-Acetylcallunin
Formula C23H24O13
Mw 508.12169086
CAS RN 164920-58-5
C_ID C00008690 ,
InChIKey PEHKDZYHMFEOTK-IYIDVWPWNA-N
InChICode InChI=1S/C23H24O13/c1-8(25)33-22-17(31)15(29)13(7-24)34-23(22)36-20-12(28)6-11(27)14-16(30)18(32)19(35-21(14)20)9-2-4-10(26)5-3-9/h2-6,13,15,17-19,22-24,26-29,31-32H,7H2,1H3/t13-,15+,17-,18-,19-,22+,23-/m0/s1
SMILES c1c(c2c(c(c1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)OC(=O)C)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.
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