input word = C00003011

Metabolite InformationStructural formula
Name Paeoniflorin
Formula C23H28O11
Mw 480.16316174
CAS RN 23180-57-6
C_ID C00003011 ,
InChIKey YKRGDOXKVOZESV-KOKTXGBINA-N
InChICode InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
SMILES [C@@]12([C@@]3([C@@H]4O[C@]1(C[C@]([C@@H]3C2)(O4)O)C)COC(=O)c1ccccc1)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
PlantaePaeoniaceaePaeonia albiflora Ref.
PlantaePaeoniaceaePaeonia chinensis Ref.
PlantaePaeoniaceaePaeonia hybrida Ref.
PlantaePaeoniaceaePaeonia japonica Ref.
PlantaePaeoniaceaePaeonia lactiflora Ref.
PlantaePaeoniaceaePaeonia moutan Ref.
PlantaePaeoniaceaePaeonia officinalis Ref.
PlantaePaeoniaceaePaeonia peregrina Ref.
PlantaePaeoniaceaePaeonia suffruticosa Ref.
PlantaeSalviniaceaeSalvinia molesta D.S.Mitch. Ref.
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