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 c12c(c(c(cc1OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@@H]([C@@H](C2)OC(=O)C)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCampanula barbata Ref.
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OrganismCampanula barbata
ReferenceCuendel,Phytochem.,56,(2001),621