input word = C00010691

Metabolite InformationStructural formula
Name Acetylbarlerin
Formula C21H30O13
Mw 490.16864105
CAS RN 57420-45-8
C_ID C00010691 ,
InChIKey RWVBOALDCWZGDK-RMTQGELRNA-N
InChICode InChI=1S/C21H30O13/c1-8(23)31-11-5-21(3,34-9(2)24)14-13(11)10(18(28)29-4)7-30-19(14)33-20-17(27)16(26)15(25)12(6-22)32-20/h7,11-17,19-20,22,25-27H,5-6H2,1-4H3/t11-,12-,13+,14-,15-,16+,17+,19+,20-,21+/m1/s1
SMILES COC(=O)C1=CO[C@@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@H]2[C@@H]1[C@H](OC(C)=O)C[C@]2(C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria lupulina Ref.
PlantaeAcanthaceaeBarleria prionitis Ref.
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