input word = C00006332

Metabolite InformationStructural formula
Name Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate
Formula C37H38O18
Mw 770.20581441
CAS RN 64763-02-6
C_ID C00006332 ,
InChIKey RCKBGYPJUBEDCP-PZTYSDKKNA-N
InChICode InChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)55-36-33(48)30(45)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(7-5-16)51-37-34(49)32(47)29(44)25(14-39)54-37/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24-,25+,29+,30+,32-,33-,34+,35-,36+,37+/m0/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@@H](O)[C@H](O)C(CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc4)cc(=O)c3c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeCerastium arvense Ref.
PlantaeGentianaceaeGentiana punctata Ref.
zoom in