input word = C00014505

Metabolite InformationStructural formula
Name Chalconaringenin 2'-O-glucoside 4'-O-gentobioside
4,2',4',6'-Tetrahydroxychalcone 2'-O-glucoside 4'-O-gentobioside
Formula C33H42O20
Mw 758.22694379
CAS RN 329272-53-9
C_ID C00014505 ,
InChIKey VTFGBUPKGZVIHW-MSKNAMBBNA-N
InChICode InChI=1S/C33H42O20/c34-9-18-22(39)25(42)28(45)31(51-18)48-11-20-24(41)27(44)29(46)32(53-20)49-14-7-16(38)21(15(37)6-3-12-1-4-13(36)5-2-12)17(8-14)50-33-30(47)26(43)23(40)19(10-35)52-33/h1-8,18-20,22-36,38-47H,9-11H2/b6-3+/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)cc1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAsarum canadense Ref.
zoom in