input word = C00006030

Metabolite InformationStructural formula
Name Patuletin 3-(4''-acetylrhamnoside)-7-(2''',4'''-diacetylrhamnoside)
Formula C34H38O19
Mw 750.20072904
CAS RN 125140-19-4
C_ID C00006030 ,
InChIKey MGKIOPQAOQPPKQ-ZFGKWLAGNA-N
InChICode InChI=1S/C34H38O19/c1-11-27(48-13(3)35)24(42)25(43)33(46-11)53-31-23(41)21-19(51-29(31)16-7-8-17(38)18(39)9-16)10-20(30(45-6)22(21)40)52-34-32(50-15(5)37)26(44)28(12(2)47-34)49-14(4)36/h7-12,24-28,32-34,38-40,42-44H,1-6H3/t11-,12-,24+,25-,26-,27-,28-,32+,33-,34+/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)OC(=O)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe gracilis Ref.
zoom in