input word = C00055818

Metabolite InformationStructural formula
Name Ephedradine D
Formula C29H38N4O5
Mw 522.28422035
CAS RN 81349-26-0
C_ID C00055818
InChIKey LLFNAODGRIFWGD-RNJDCESWSA-N
InChICode InChI=1S/C29H38N4O5/c1-37-24-17-20-16-22-26(27(38-28(22)24)19-6-8-21(34)9-7-19)29(36)33-14-3-2-10-30-11-4-12-31-23(20)18-25(35)32-13-5-15-33/h6-9,16-17,23,26-27,30-31,34H,2-5,10-15,18H2,1H3,(H,32,35)/t23-,26+,27-/m0/s1
SMILES OC1=CC=C([C@H]2[C@@](C3=O)([H])C4=C(O2)C(OC)=CC([C@](NCCCNCCCC[N@]3CCCN5)([H])CC5=O)=C4)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
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