input word = C00055349

Metabolite InformationStructural formula
Name Citbismine C
Formula C37H36N2O11
Mw 684.23191001
CAS RN 169055-79-2
C_ID C00055349
InChIKey BDURUBOYNAVRCF-HGGZLQRRSA-N
InChICode InChI=1S/C37H36N2O11/c1-37(2,45)36-27(25-22(50-36)14-19(41)24-30(25)39(4)28-15(32(24)43)9-11-18(40)34(28)48-7)26-21(47-6)13-17-23(33(26)44)31(42)16-10-12-20(46-5)35(49-8)29(16)38(17)3/h9-14,27,36,40-41,44-45H,1-8H3/t27-,36+/m0/s1
SMILES COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(OC)c(OC)c1n2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus paradisi Ref.
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