input word = C00032987

Metabolite InformationStructural formula
Name Galloylpaeoniflorin
Formula C30H32O15
Mw 632.17412036
CAS RN 122965-41-7
C_ID C00032987 ,
InChIKey KLFIUQCKSSAFFU-KPYOXDJYNA-N
InChICode InChI=1S/C30H32O15/c1-27-11-29(39)18-9-30(27,28(18,26(44-27)45-29)12-41-23(37)13-5-3-2-4-6-13)43-25-22(36)21(35)20(34)17(42-25)10-40-24(38)14-7-15(31)19(33)16(32)8-14/h2-8,17-18,20-22,25-26,31-36,39H,9-12H2,1H3/t17-,18-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1
SMILES C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia hybrida Ref.
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
PlantaeRutaceaePhellodendron amurense Ref.
zoom in