input word = C00005983

Metabolite InformationStructural formula
Name Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside
Formula C29H32O16
Mw 636.16903498
CAS RN 104594-65-2
C_ID C00005983 ,
InChIKey HXCHGMPJLNBHOE-DBNZCTEZNA-N
InChICode InChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3/t9-,10+,19+,21+,22+,23-,24+,25+,28+,29-/m1/s1
SMILES c1(cc(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)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
PlantaeRosaceaeMespilus germanica Ref.
zoom in