input word = C00026028

Metabolite InformationStructural formula
Name Sciadoferine
2,3-Dihydrosciadoline
Formula C36H36N2O6
Mw 592.2573369
CAS RN 68676-59-5
C_ID C00026028 ,
InChIKey QNMXTHLFLVJOBM-DKKPLQGMNA-N
InChICode InChI=1S/C36H36N2O6/c1-38-16-14-24-20-30(41-3)34(42-4)36-32(24)28(38)18-22-7-11-25(12-8-22)43-35-31-23(19-29(40-2)33(35)39)13-15-37-27(31)17-21-5-9-26(44-36)10-6-21/h5-12,19-20,28,39H,13-18H2,1-4H3/t28-/m1/s1
SMILES c12cc(c(c3c1[C@H](N(CC2)C)Cc1ccc(cc1)Oc1c2C(=NCCc2cc(c1O)OC)Cc1ccc(O3)cc1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeSciadotenia toxifera Krukoff Ref.
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