input word = C00025728

Metabolite InformationStructural formula
Name 19-Epiiboxygaine
19-epi-Iboxygaine
20-Epiiboxygaine
20-epi-Iboxygaine
Formula C20H26N2O2
Mw 326.19942809
CAS RN 17378-49-3
C_ID C00025728 ,
InChIKey QLSITYRYHBQHBY-HTMIGQPANA-N
InChICode InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3/t11-,12+,15-,17+,20?/m1/s1
SMILES c12c([nH]c3c1cc(cc3)OC)[C@H]1[C@@H]3N(CC2)C[C@H](C1)C[C@@H]3[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana dichotoma Roxb.ex Wall Ref.
PlantaeApocynaceaeTabernaemontana humblotii (Baill.) Pichon Ref.
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OrganismTabernaemontana humblotii (Baill.) Pichon
ReferencePanas,Phytochem.,13,(1974),1969