input word = C00044276

Metabolite InformationStructural formula
Name Paeonidaninol B
Formula C30H32O12
Mw 584.18937649
CAS RN 211487-63-7
C_ID C00044276 ,
InChIKey CNXYOSGVWOYOSS-BJFGYPFJNA-N
InChICode InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18,20-23,26-27,32-34,37H,12-15H2,1H3/t18-,20-,21-,22+,23-,26+,27-,28-,29-,30-/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@]12[C@@]3(COC(=O)c4ccccc4)[C@@H](O[C@@]2(CC(=O)[C@H]3C1)C)O)COC(=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia peregrina Ref.
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