input word = C00028939

Metabolite InformationStructural formula
Name Roehybramine
Formula C30H37N3O4
Mw 503.27840669
CAS RN 131669-92-6
C_ID C00028939 ,
InChIKey YLZPALBXPUYJKU-YHIOIELNNA-N
InChICode InChI=1S/C30H37N3O4/c1-33-12-8-17-13-23(36-3)27(34)26-25(17)22(33)15-29(26)9-10-30(24(16-29)37-4)28-20(7-11-31-30)19-6-5-18(35-2)14-21(19)32-28/h5-6,13-14,22,24,31-32,34H,7-12,15-16H2,1-4H3/t22-,24+,29+,30+/m0/s1
SMILES COc1ccc2c3c([nH]c2c1)[C@]1(CC[C@@]2(C[C@H]4c5c(cc(OC)c(O)c52)CCN4C)C[C@H]1OC)NCC3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaePapaveraceaeRoemeria hybrida Ref.
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