input word = C00014304

Metabolite InformationStructural formula
Name Pinocembroside
Pinocembrin 7-O-beta-D-glucoside
(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone
Formula C21H22O9
Mw 418.1263823
CAS RN 75829-43-5
C_ID C00014304 ,
InChIKey GPGFGFUBECSNTG-HFABFWGWNA-N
InChICode InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-7,14,16,18-23,25-27H,8-9H2/t14-,16+,18+,19-,20+,21+/m0/s1
SMILES O=C1C[C@@H](c2ccccc2)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaePenthoraceaePenthorum chinense Ref.
PlantaeSantalaceaeViscum articulactum Ref.
PlantaeSantalaceaeViscum coloratum Ref.
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