input word = C00048443

Metabolite InformationStructural formula
Name Jerantiphylline B
(-)-Jerantiphylline B
Formula C22H28N2O6
Mw 416.19473664
CAS RN 1154518-06-5
C_ID C00048443 ,
InChIKey VSRDFIMERYCSAX-LFIZVPQXNA-N
InChICode InChI=1S/C22H28N2O6/c1-4-21(12-16(26)18(27)30-3)6-5-8-24-9-7-22(19(21)24)13-10-15(25)17(29-2)11-14(13)23-20(22)28/h10-12,19,25-26H,4-9H2,1-3H3,(H,23,28)/b16-12-/t19-,21-,22+/m0/s1
SMILES CC[C@@]1(/C=C(O)C(=O)OC)CCCN2CC[C@]3(C(=O)Nc4cc(OC)c(O)cc43)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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