input word = C00004306

Metabolite InformationStructural formula
Name Luteolin 7-glucoside-4'-neohesperidoside
Formula C33H40O20
Mw 756.21129372
CAS RN 70404-42-1
C_ID C00004306 ,
InChIKey RTZQSPCWWLUJTE-FKVORTSDNA-N
InChICode InChI=1S/C33H40O20/c1-10-22(39)25(42)28(45)31(47-10)53-30-27(44)24(41)20(9-35)52-33(30)50-16-3-2-11(4-13(16)36)17-7-15(38)21-14(37)5-12(6-18(21)49-17)48-32-29(46)26(43)23(40)19(8-34)51-32/h2-7,10,19-20,22-37,39-46H,8-9H2,1H3/t10-,19+,20-,22+,23-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeHedwigia ciliata Ref.
zoom in