input word = C00010519

Metabolite InformationStructural formula
Name Rehmannioside B
Formula C21H32O15
Mw 524.17412036
CAS RN 81720-06-1
C_ID C00010519 ,
InChIKey DLYKKFLQWHNOKY-IIMUPETGNA-N
InChICode InChI=1S/C21H32O15/c22-3-7-10(25)12(27)14(29)19(32-7)34-16-6-1-2-31-18(9(6)21(5-24)17(16)36-21)35-20-15(30)13(28)11(26)8(4-23)33-20/h1-2,6-20,22-30H,3-5H2/t6-,7+,8-,9-,10+,11-,12-,13-,14+,15-,16+,17-,18+,19-,20+,21+/m1/s1
SMILES [C@@H]1([C@H]2[C@@H](C=CO1)[C@@H]([C@@H]1[C@]2(O1)CO)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
zoom in