input word = C00057801

Metabolite InformationStructural formula
Name Somniferine
Formula C36H36N2O7
Mw 608.25225152
CAS RN 117611-63-9
C_ID C00057801
InChIKey JQGBUIZIHWUPHT-UHFFFAOYSA-N
InChICode InChI=1S/C36H36N2O7/c1-37-12-11-35-28-18-5-8-23(39)30(28)44-33(35)29(40)19(15-36(35,41)26(37)14-18)22-16-34-20-7-10-25(43-4)32(34)45-31-24(42-3)9-6-17(27(31)34)13-21(20)38(22)2/h5-10,15,21-22,26,32-33,39,41H,11-14,16H2,1-4H3
SMILES COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CC(C2=CC4(O)C6Cc7ccc(O)c8c7C4(CCN6C)C(O8)C2=O)N3C)C1O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver somniferum Ref.
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismPapaver somniferum
ReferenceDragar, C. et al., Tet. Lett., 1988, 29, 3115 (struct)