input word = C00013990

Metabolite InformationStructural formula
Name 3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone 7-neohesperidoside
7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-3,6,8-trihydroxy-4H-1-benzopyran-4-one
Formula C28H32O18
Mw 656.15886422
CAS RN 163167-40-6
C_ID C00013990 ,
InChIKey VGGBCDMPJNZRDK-VPJQCEDKNA-N
InChICode InChI=1S/C28H32O18/c1-7-14(32)18(36)21(39)27(42-7)46-26-20(38)17(35)13(6-29)43-28(26)45-25-11(31)5-9-15(33)19(37)23(44-24(9)22(25)40)8-3-10(30)16(34)12(4-8)41-2/h3-5,7,13-14,17-18,20-21,26-32,34-40H,6H2,1-2H3/t7-,13+,14-,17-,18+,20-,21?,26+,27-,28-/m0/s1
SMILES c1c(cc(c(c1O)O)OC)c1oc2c(c(=O)c1O)cc(c(c2O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus vitifolius Ref.
zoom in