input word = C00033396

Metabolite InformationStructural formula
Name Suffruticoside A
Formula C27H32O16
Mw 612.16903498
CAS RN 145898-94-8
C_ID C00033396 ,
InChIKey QNVPMKAFCVXMFH-GLLQMLDFNA-N
InChICode InChI=1S/C27H32O16/c1-11(28)14-4-3-13(38-2)7-17(14)42-25-22(34)21(33)20(32)18(43-25)8-39-26-23(35)27(37,10-41-26)9-40-24(36)12-5-15(29)19(31)16(30)6-12/h3-7,18,20-23,25-26,29-35,37H,8-10H2,1-2H3/t18-,20-,21+,22-,23+,25-,26-,27-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@](CO1)(COC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O)O)Oc1c(C(=O)C)ccc(c1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia moutan Ref.
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
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