input word = C00039490

Metabolite InformationStructural formula
Name Jerantinine A
(-)-Jerantinine A
Formula C22H26N2O4
Mw 382.18925733
CAS RN 72713-28-1
C_ID C00039490 ,
InChIKey QRYQVCQRVMGDEO-GSJMQOCFNA-N
InChICode InChI=1S/C22H26N2O4/c1-4-21-6-5-8-24-9-7-22(20(21)24)14-10-16(25)17(27-2)11-15(14)23-18(22)13(12-21)19(26)28-3/h5-6,10-11,20,23,25H,4,7-9,12H2,1-3H3/t20-,21-,22-/m0/s1
SMILES N12[C@H]3[C@@](C=CC1)(CC(=C1[C@]3(CC2)c2c(N1)cc(c(c2)O)OC)C(=O)OC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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