input word = C00030372

Metabolite InformationStructural formula
Name Gelsempervine B
Formula C24H28N2O5
Mw 424.19982202
CAS RN 865187-29-7
C_ID C00030372 ,
InChIKey MOXXGTUIAARIFB-JILJIZCGNA-N
InChICode InChI=1S/C24H28N2O5/c1-5-15-12-26(3)21-10-17-16-8-6-7-9-19(16)25-22(17)20(28)11-18(15)24(21,23(29)30-4)13-31-14(2)27/h5-9,18,21,25H,10-13H2,1-4H3/b15-5-/t18-,21-,24+/m0/s1
SMILES c1ccc2c(c1)c1c([nH]2)C(=O)C[C@H]2/C(=C\C)/CN([C@@H](C1)[C@]2(COC(=O)C)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ref.
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