input word = C00026739

Metabolite InformationStructural formula
Name GS-2
Formula C20H24N2O5
Mw 372.16852189
CAS RN 677761-62-5
C_ID C00026739 ,
InChIKey VXQDOSKGLXGDFW-XPYVEJRDNA-N
InChICode InChI=1S/C20H24N2O5/c1-4-13-16-11-9-27-18(17(16)23)20(8-14(11)21-13)12-6-5-10(25-2)7-15(12)22(26-3)19(20)24/h5-7,11,14,16-18,23H,4,8-9H2,1-3H3/t11-,14+,16-,17-,18-,20+/m1/s1
SMILES [C@H]1([C@@H]2[C@@H]3CO[C@H]1[C@]1(C[C@@H]3N=C2CC)c2c(N(C1=O)OC)cc(cc2)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ait.f. Ref.
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OrganismGelsemium sempervirens Ait.f.
ReferenceKitajima,Chem.Pharm.Bull.,51,(2003),1211