input word = C00001923

Metabolite InformationStructural formula
Name Thalsimine
Formula C38H40N2O7
Mw 636.28355165
CAS RN 5525-36-0
C_ID C00001923 ,
InChIKey YWNUNVSMOKMJMG-KSTXGFNDNA-N
InChICode InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1
SMILES c12c3c(c(c(c1OC)OC)OC)Oc1c(cc4c(c1)C(=NCC4)Cc1ccc(cc1)Oc1c(ccc(c1)C[C@@H]3N(CC2)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum rugosum Ref.
PlantaeRanunculaceaeThalictrum simplex Ref.
PlantaeRanunculaceaeThalictrum symplex Ref.
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