input word = C00013994

Metabolite InformationStructural formula
Name 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside
Formula C30H36O18
Mw 684.19016435
CAS RN
C_ID C00013994 ,
InChIKey XBSPWCXTAZLBFV-KIJKRJKBNA-N
InChICode InChI=1S/C30H36O18/c1-40-22-13-15(33)25(41-2)21(46-23(13)27(43-4)18(36)26(22)42-3)10-5-7-11(8-6-10)44-30-20(38)24(19(37)28(39)48-30)47-29-17(35)16(34)14(32)12(9-31)45-29/h5-8,12,14,16-17,19-20,24,28-32,34-39H,9H2,1-4H3/t12-,14-,16+,17-,19-,20+,24-,28+,29+,30-/m1/s1
SMILES c1c(ccc(c1)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1oc2c(c(=O)c1OC)c(c(c(c2OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea senegalensis Ref.
zoom in