input word = C00006027

Metabolite InformationStructural formula
Name Patuletin 3-(4''-acetylrhamnoside)-7-(2'''-acetylrhamnoside)
Formula C32H36O18
Mw 708.19016435
CAS RN 160472-99-1
C_ID C00006027 ,
InChIKey NSKQDIIOJNPSLZ-MUSFNSSDNA-N
InChICode InChI=1S/C32H36O18/c1-10-20(37)23(40)30(47-13(4)34)32(44-10)49-18-9-17-19(21(38)28(18)43-5)22(39)29(27(48-17)14-6-7-15(35)16(36)8-14)50-31-25(42)24(41)26(11(2)45-31)46-12(3)33/h6-11,20,23-26,30-32,35-38,40-42H,1-5H3/t10-,11-,20-,23-,24+,25-,26-,30+,31-,32+/m0/s1
SMILES COc1c(O[C@H]2OC(C)[C@H](O)[C@H](O)C2OC(C)=O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(C)[C@H](OC(C)=O)C(O)[C@@H]3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe brasiliensis Ref.
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