input word = C00033398

Metabolite InformationStructural formula
Name Suffruticoside C
Formula C27H32O16
Mw 612.16903498
CAS RN 145898-96-0
C_ID C00033398 ,
InChIKey RCIAZDQVOCMCHH-RKYYSFLJNA-N
InChICode InChI=1S/C27H32O16/c1-10(28)13-4-3-12(38-2)7-16(13)42-27-24(36)22(34)20(32)18(43-27)9-40-26-23(35)21(33)17(8-39-26)41-25(37)11-5-14(29)19(31)15(30)6-11/h3-7,17-18,20-24,26-27,29-36H,8-9H2,1-2H3/t17-,18-,20-,21+,22+,23+,24-,26+,27-/m1/s1
SMILES [C@H]1(OC[C@H]([C@@H]([C@@H]1O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)Oc1c(ccc(c1)OC)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia moutan Ref.
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
zoom in