input word = C00004493

Metabolite InformationStructural formula
Name Scutellarein 6,4'-dimethyl ether 7-(3'''-acetylrutinoside)
Formula C31H36O16
Mw 664.20033511
CAS RN 145613-82-7
C_ID C00004493 ,
InChIKey GTRUGOOORRXMOB-VLZUITDLNA-N
InChICode InChI=1S/C31H36O16/c1-12-22(34)29(44-13(2)32)27(39)30(43-12)42-11-20-23(35)25(37)26(38)31(47-20)46-19-10-18-21(24(36)28(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22-23,25-27,29-31,34-39H,11H2,1-4H3/t12-,20+,22-,23-,25-,26+,27+,29+,30+,31+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O[C@@H]4OC(CO[C@@H]5O[C@@H](C)[C@H](O)C(OC(C)=O)C5O)[C@@H](O)[C@H](O)C4O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLinaria japonicum Ref.
zoom in