input word = C00005967

Metabolite InformationStructural formula
Name Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside)
Formula C37H30O15
Mw 714.15847029
CAS RN 126149-76-6
C_ID C00005967 ,
InChIKey VJZCKTQRIDJDHL-BTBLCIGLNA-N
InChICode InChI=1S/C37H30O15/c1-17-32(50-28(44)13-4-18-2-8-21(38)9-3-18)31(46)35(51-36(47)19-5-10-22(39)11-6-19)37(48-17)52-34-30(45)29-26(43)15-23(40)16-27(29)49-33(34)20-7-12-24(41)25(42)14-20/h2-17,31-32,35,37-43,46H,1H3/b13-4+/t17-,31+,32-,35-,37-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)c1ccc(cc1)O)O)OC(=O)/C=C/c1ccc(cc1)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeLibocedrus bidwillii Ref.
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