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 CC([C@]1([H])[C@](C2=C(OC)C=C(N3)C(C(C4=C3C(OC)=C(OC)C=C4)=O)=C2O)([H])C5=C(O1)C=C(O)C6=C5N(C7=C(C6=O)C=CC=C7O)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus paradisi Ref.
zoom in



OrganismCitrus paradisi
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9