input word = C00006028

Metabolite InformationStructural formula
Name Patuletin 3-(4''-acetylrhamnoside)-7-(3'''-acetylrhamnoside)
Formula C32H36O18
Mw 708.19016435
CAS RN 125140-17-2
C_ID C00006028 ,
InChIKey ZVEIDTIRZJGYDY-OGSIXQPNNA-N
InChICode InChI=1S/C32H36O18/c1-10-20(37)29(47-13(4)34)25(42)32(44-10)49-18-9-17-19(21(38)28(18)43-5)22(39)30(27(48-17)14-6-7-15(35)16(36)8-14)50-31-24(41)23(40)26(11(2)45-31)46-12(3)33/h6-11,20,23-26,29,31-32,35-38,40-42H,1-5H3/t10-,11-,20-,23+,24-,25-,26-,29-,31-,32+/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)OC(=O)C)C)c1ccc(c(c1)O)O)O)OC)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe brasiliensis Ref.
PlantaeCrassulaceaeKalanchoe gracilis Ref.
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