input word = C00006026

Metabolite InformationStructural formula
Name Patuletin 3,7-bis(3-acetylrhamnoside)
Formula C32H36O18
Mw 708.19016435
CAS RN 125140-18-3
C_ID C00006026 ,
InChIKey SASUJDCJYTVPMQ-JOPPTRCRNA-N
InChICode InChI=1S/C32H36O18/c1-10-20(37)28(46-12(3)33)24(41)31(44-10)49-18-9-17-19(22(39)27(18)43-5)23(40)30(26(48-17)14-6-7-15(35)16(36)8-14)50-32-25(42)29(47-13(4)34)21(38)11(2)45-32/h6-11,20-21,24-25,28-29,31-32,35-39,41-42H,1-5H3/t10-,11+,20+,21+,24+,25+,28+,29-,31-,32+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)OC(=O)C)O)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 gracilis Ref.
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