input word = C00026740

Metabolite InformationStructural formula
Name GS-3
Formula C20H24N2O6
Mw 388.16343651
CAS RN 677761-63-6
C_ID C00026740 ,
InChIKey USWBRERBVGYKQZ-RCLAUQJQNA-N
InChICode InChI=1S/C20H24N2O6/c1-4-15(23)20-12-9-28-17(16(20)24)19(8-13(12)21-20)11-6-5-10(26-2)7-14(11)22(27-3)18(19)25/h5-7,12-13,16-17,21,24H,4,8-9H2,1-3H3/t12-,13+,16-,17-,19+,20-/m1/s1
SMILES [C@]12([C@@H]([C@@H]3[C@]4(C(=O)N(c5c4ccc(c5)OC)OC)C[C@@H]([C@H]1CO3)N2)O)C(=O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ait.f. Ref.
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