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 O=C1C2=CC=C(O)C(OC)=C2N(C)C3=C1C(O)=CC4=C3[C@](C5=C(O)C(C(C(C=CC(OC)=C6OC)=C6N7C)=O)=C7C=C5OC)([H])[C@H](C(C)(O)C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus paradisi Ref.
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