input word = C00032107

Metabolite InformationStructural formula
Name Paeonin A
(+)-Paeonin A
Formula C30H32O12
Mw 584.18937649
CAS RN 618911-91-4
C_ID C00032107 ,
InChIKey LATYEZNGPQKAIK-UHALQENENA-N
InChICode InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20+,21+,22-,25+,26?,27+,28+,29-,30+/m1/s1
SMILES [C@@]12(COC(=O)c3ccccc3)[C@@H]3O[C@]4([C@@H]1C[C@@]2([C@@](O3)(C4)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c1ccccc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia emodi Ref.
PlantaePaeoniaceaePaeonia lactiflora Ref.
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OrganismPaeonia lactiflora
ReferenceWang,J.Nat.Prod.,72,(2009),1321