input word = C00001733

Metabolite InformationStructural formula
Name Gelsemicine
Formula C20H26N2O4
Mw 358.18925733
CAS RN 6887-28-1
C_ID C00001733 ,
InChIKey RIHQHYIWKHVLRH-XXNIMICKNA-N
InChICode InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1
SMILES c1c(cc2c(c1)[C@@]1(C(=O)N2OC)C[C@H]2[C@H]3CO[C@@H]1C[C@H]3[C@H](N2)CC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ref.
PlantaeGelsemiaceaeMostuea brunonis Ref.
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OrganismGelsemium sempervirens
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20