input word = C00005310

Metabolite InformationStructural formula
Name 6-Hydroxykaempferol 3-rutinoside-6-glucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 145134-63-0
C_ID C00005310 ,
InChIKey NEXCWFVNYYIZCR-SNOAJQQENA-N
InChICode InChI=1S/C33H40O21/c1-9-17(37)22(42)25(45)31(49-9)48-8-15-19(39)24(44)27(47)33(52-15)54-30-21(41)16-13(50-28(30)10-2-4-11(35)5-3-10)6-12(36)29(20(16)40)53-32-26(46)23(43)18(38)14(7-34)51-32/h2-6,9,14-15,17-19,22-27,31-40,42-47H,7-8H2,1H3/t9-,14+,15-,17-,18?,19+,22-,23-,24-,25+,26+,27+,31+,32-,33-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(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
PlantaeAsteraceaeCarthamus tinctorius Ref.
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