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 CC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2ccc(O)cc2)C(O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeLibocedrus bidwillii Ref.
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