input word = C00013253

Metabolite InformationStructural formula
Name Barbatoflavan
(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside
Formula C24H28O13
Mw 524.15299098
CAS RN 342643-67-8
C_ID C00013253 ,
InChIKey GWCKEYBXVJCUKX-LAKDOGLGNA-N
InChICode InChI=1S/C24H28O13/c1-9(26)34-16-6-11-15(33-2)7-14(29)23(37-24-20(32)19(31)18(30)17(8-25)35-24)22(11)36-21(16)10-3-4-12(27)13(28)5-10/h3-5,7,16-21,24-25,27-32H,6,8H2,1-2H3/t16-,17+,18-,19+,20-,21-,24+/m1/s1
SMILES COc1cc(O)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c1C[C@@H](OC(C)=O)[C@@H](c1ccc(O)c(O)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCampanula barbata Ref.
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