input word = C00008137

Metabolite InformationStructural formula
Name Pinocembrin 5-O-glucoside
Formula C21H22O9
Mw 418.1263823
CAS RN 522-55-6
C_ID C00008137 ,
InChIKey VFPGPPMQCHGMCT-FOUXOPOQNA-N
InChICode InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2/t13-,16-,18-,19+,20-,21-/m1/s1
SMILES c1(cc(c2c(c1)O[C@H](CC2=O)c1ccccc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus aequinoctialis Ref.
PlantaeRosaceaePrunus spinulosa Ref.
PlantaeRosaceaePrunus verecunda Ref.
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