input word = C00006366

Metabolite InformationStructural formula
Name Episcoparin
Formula C22H22O11
Mw 462.11621155
CAS RN 53156-94-8
C_ID C00006366 ,
InChIKey YXHFXGHAELQJGK-RBQFTHEHNA-N
InChICode InChI=1S/C22H22O11/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/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22-/m1/s1
SMILES c1(cc(c2c(c1[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeKnautia motana Ref.
zoom in