input word = C00025524

Metabolite InformationStructural formula
Name N-Demethylmitiphylline
Formula C30H47NO6
Mw 517.34033824
CAS RN 36948-64-8
C_ID C00025524 ,
InChIKey QLCJXHUAXDJDFZ-YEEZMSRANA-N
InChICode InChI=1S/C30H47NO6/c1-17-27(31)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(32)35-16-18/h13,17,19-24,26-27,33H,5-12,14-16,31H2,1-4H3/t17-,19-,20+,21-,22+,23-,24+,26-,27-,28+,29-,30+/m1/s1
SMILES COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)OC(C)C1N
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena mitis Ref.
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