input word = C00005683

Metabolite InformationStructural formula
Name Casticin 3'-glucoside
Formula C25H28O13
Mw 536.15299098
CAS RN 71827-14-0
C_ID C00005683 ,
InChIKey XLAIEMDZJHCSTR-YVVFPPIBNA-N
InChICode InChI=1S/C25H28O13/c1-32-11-6-5-10(7-12(11)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15-,17-,20+,21-,25-/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeChrysosplenium americanum Ref.
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