input word = C00006022

Metabolite InformationStructural formula
Name Patuletin 3-(4''-acetylrhamnoside)-7-rhamnoside
Formula C30H34O17
Mw 666.17959966
CAS RN 160473-01-8
C_ID C00006022 ,
InChIKey DMFHHIKBBFOXCL-CQBPVKCUNA-N
InChICode InChI=1S/C30H34O17/c1-9-18(34)21(37)23(39)29(42-9)46-16-8-15-17(19(35)27(16)41-4)20(36)28(26(45-15)12-5-6-13(32)14(33)7-12)47-30-24(40)22(38)25(10(2)43-30)44-11(3)31/h5-10,18,21-25,29-30,32-35,37-40H,1-4H3/t9-,10+,18+,21+,22+,23-,24+,25+,29+,30+/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)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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe brasiliensis Ref.
zoom in