input word = C00052236

Metabolite InformationStructural formula
Name Citbismine A
Formula C35H32N2O10
Mw 640.20569526
CAS RN 161068-61-7
C_ID C00052236
InChIKey FTTSBKFANOKIKQ-SFRLIIPVSA-N
InChICode InChI=1S/C35H32N2O10/c1-35(2,43)34-26(24-21(47-34)13-18(39)23-29(24)37(3)28-15(31(23)41)8-7-9-17(28)38)25-20(45-5)12-16-22(32(25)42)30(40)14-10-11-19(44-4)33(46-6)27(14)36-16/h7-13,26,34,38-39,42-43H,1-6H3,(H,36,40)/t26-,34+/m1/s1
SMILES COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4cccc(O)c4n(C)c23)O[C@@H]1C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus paradisi Ref.
zoom in