input word = C00028750

Metabolite InformationStructural formula
Name O,N-Dimethylapateline
Formula C36H36N2O5
Mw 576.26242227
CAS RN 40225-97-6
C_ID C00028750 ,
InChIKey SVMNNRZZJAFEJM-YBFHJACQNA-N
InChICode InChI=1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28+/m1/s1
SMILES COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)[C@@H]5C2)CCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMonimiaceaeDaphnandra dielsii Ref.
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