input word = C00055270

Metabolite InformationStructural formula
Name Aspalalinin
Formula C21H22O11
Mw 450.11621155
CAS RN 910252-00-5
C_ID C00055270
InChIKey JQZDZILIUFZADN-VJXVFPJBSA-N
InChICode InChI=1S/C21H22O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)8(23)2-1-7-3-9(24)10(25)4-12(7)31-13/h3-5,14,17,19-22,24-30H,1-2,6H2/t14-,17-,19+,20-,21+/m1/s1
SMILES OC(C(O)=C1)=CC2=C1CCC(C(C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O)=C4)=C4O2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAspalathus linearis Ref.
zoom in