input word = C00055816

Metabolite InformationStructural formula
Name Ephedradine B
Formula C29H38N4O5
Mw 522.28422035
CAS RN 71327-57-6
C_ID C00055816
InChIKey OZQWWKNRYQISEO-ZGOJTZKKSA-N
InChICode InChI=1S/C29H38N4O5/c1-37-25-17-20(6-8-23(25)34)28-27-21-16-19(7-9-24(21)38-28)22-18-26(35)32-13-5-15-33(29(27)36)14-3-2-10-30-11-4-12-31-22/h6-9,16-17,22,27-28,30-31,34H,2-5,10-15,18H2,1H3,(H,32,35)/t22-,27+,28-/m0/s1
SMILES OC1=C(OC)C=C([C@H]2[C@@](C3=O)([H])C4=C(O2)C=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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