input word = C00004468

Metabolite InformationStructural formula
Name Tricin 7-rutinoside-4'-glucoside
Formula C35H44O21
Mw 800.23750847
CAS RN 58795-16-7
C_ID C00004468 ,
InChIKey DTHALOCPATWECM-XQGOJNRXNA-N
InChICode InChI=1S/C35H44O21/c1-11-23(39)26(42)29(45)33(51-11)50-10-21-25(41)28(44)30(46)34(55-21)52-13-6-14(37)22-15(38)8-16(53-17(22)7-13)12-4-18(48-2)32(19(5-12)49-3)56-35-31(47)27(43)24(40)20(9-36)54-35/h4-8,11,20-21,23-31,33-37,39-47H,9-10H2,1-3H3/t11-,20+,21+,23-,24+,25+,26-,27-,28-,29-,30+,31+,33+,34+,35-/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5O[C@@H](C)[C@H](O)C(O)C5O)[C@@H](O)[C@H](O)C4O)cc3o2)cc(OC)c1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
zoom in