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 COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia moutan Ref.
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
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OrganismPaeonia moutan
ReferenceYoshikawa, et al., Chem Pharm Bull, 40, (1992), 2248