input word = C00028940

Metabolite InformationStructural formula
Name Roehybridine
Formula C31H39N3O5
Mw 533.28897138
CAS RN 123000-13-5
C_ID C00028940 ,
InChIKey ZEQJFLRBPFWVDX-KFNLYBIZNA-N
InChICode InChI=1S/C31H39N3O5/c1-34-11-7-17-12-24(38-4)28(35)27-26(17)21(34)15-30(27)8-9-31(25(16-30)39-5)29-18(6-10-32-31)19-13-22(36-2)23(37-3)14-20(19)33-29/h12-14,21,25,32-33,35H,6-11,15-16H2,1-5H3/t21-,25+,30+,31+/m0/s1
SMILES C1C[C@@]2([C@@H](C[C@]31c1c4[C@H](C3)N(CCc4cc(c1O)OC)C)OC)c1c(CCN2)c2c([nH]1)cc(c(c2)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaePapaveraceaeRoemeria hybrida Ref.
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