input word = C00055817

Metabolite InformationStructural formula
Name Ephedradine C
Formula C30H40N4O5
Mw 536.29987042
CAS RN 73276-37-6
C_ID C00055817
InChIKey ROGWZMZVDLVUGM-QKZGOTKPSA-N
InChICode InChI=1S/C30H40N4O5/c1-37-25-10-8-21(18-26(25)38-2)29-28-22-17-20(7-9-24(22)39-29)23-19-27(35)33-14-6-16-34(30(28)36)15-4-3-11-31-12-5-13-32-23/h7-10,17-18,23,28-29,31-32H,3-6,11-16,19H2,1-2H3,(H,33,35)/t23-,28+,29-/m0/s1
SMILES O=C1C[C@@](NCCCNCCCC[N@]2CCCN1)([H])C3=CC([C@](C2=O)([H])[C@@H]4C5=CC(OC)=C(OC)C=C5)=C(O4)C=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
zoom in