input word = C00054071

Metabolite InformationStructural formula
Name Amygdalinic acid
Formula C20H28O13
Mw 476.15299098
CAS RN 66427-92-7
C_ID C00054071
InChIKey IHWHGPUDYPIVLL-BFMJJVGDSA-N
InChICode InChI=1S/C20H28O13/c21-6-9-11(22)13(24)15(26)19(31-9)30-7-10-12(23)14(25)16(27)20(32-10)33-17(18(28)29)8-4-2-1-3-5-8/h1-5,9-17,19-27H,6-7H2,(H,28,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17-,19-,20+/m1/s1
SMILES OC([C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3=CC=CC=C3)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus persica Ref.
zoom in