input word = C00055815

Metabolite InformationStructural formula
Name Ephedradine A
Formula C28H36N4O4
Mw 492.27365567
CAS RN 71461-13-7
C_ID C00055815
InChIKey ASCIWXOCZAWSON-RNJDCESWSA-N
InChICode InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26+,27-/m0/s1
SMILES O=C1C[C@@H]2NCCCNCCCCN(CCCN1)C(=O)[C@@H]1c3cc2ccc3O[C@H]1c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
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OrganismEphedra sinica
ReferenceBen-Mei, Z. et al., Chinese J. Nat. Med., 16, (2018), 811-828.