input word = C00041539

Metabolite InformationStructural formula
Name Gelsebanine
(-)-Gelsebanine
Formula C30H36N2O5
Mw 504.26242227
CAS RN 911847-81-9
C_ID C00041539 ,
InChIKey QTXUXQFNNPLFTD-WAIJHBLKNA-N
InChICode InChI=1S/C30H36N2O5/c1-4-29-14-31(3)25-18-13-36-23(10-20(18)29)30(26(25)29)19-7-5-6-8-21(19)32(28(30)35)11-16-24-17(12-33)15(2)9-22(24)37-27(16)34/h4-8,15-18,20,22-26,33H,1,9-14H2,2-3H3/t15-,16-,17+,18+,20+,22-,23?,24+,25-,26+,29+,30-/m0/s1
SMILES [C@]12([C@H]3[C@@H]4[C@@H]([C@H]1[C@]1(c5c(cccc5)N(C1=O)C[C@H]1[C@H]5[C@@H](OC1=O)C[C@@H]([C@H]5CO)C)[C@H](OC4)C3)N(C2)C)C=C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium elegans Ref.
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