input word = C00005748

Metabolite InformationStructural formula
Name Myricetin 3-rutinoside-7-glucoside
Formula C33H40O22
Mw 788.20112297
CAS RN 55481-92-0
C_ID C00005748 ,
InChIKey DTSVAGTXAHLUAU-JWICXZGXNA-N
InChICode InChI=1S/C33H40O22/c1-8-18(38)23(43)26(46)31(50-8)49-7-16-21(41)25(45)28(48)33(54-16)55-30-22(42)17-11(35)4-10(51-32-27(47)24(44)20(40)15(6-34)53-32)5-14(17)52-29(30)9-2-12(36)19(39)13(37)3-9/h2-5,8,15-16,18,20-21,23-28,31-41,43-48H,6-7H2,1H3/t8-,15+,16+,18-,20+,21+,23-,24-,25+,26+,27+,28-,31+,32+,33-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLimnanthaceaeLimnanthes douglasii Ref.
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