input word = C00006368

Metabolite InformationStructural formula
Name Dihydroscoparin
Formula C22H24O11
Mw 464.13186161
CAS RN
C_ID C00006368 ,
InChIKey QEZFQOLUCRFZLF-NCJPFORGNA-N
InChICode InChI=1S/C22H24O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-5,13,15,18-20,22-26,28-30H,6-7H2,1H3/t13-,15+,18+,19-,20+,22-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H](CC2=O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeJoannesia princeps Ref.
zoom in