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@@]12(COC(=O)c3ccccc3)[C@]3([C@]4(O[C@@H]1O[C@@]([C@@H]2C3)(C4)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia hybrida Ref.
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
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