input word = C00048442

Metabolite InformationStructural formula
Name Jerantiphylline A
Formula C22H26N2O6
Mw 414.17908658
CAS RN 1154518-05-4
C_ID C00048442 ,
InChIKey CEHXBZBRVHEPPC-MMQGKVKMNA-N
InChICode InChI=1S/C22H26N2O6/c1-5-21(11-25)10-13(19(28)30-4)18-22(6-7-24(12(2)26)20(21)22)14-8-16(27)17(29-3)9-15(14)23-18/h8-9,11,20,23,27H,5-7,10H2,1-4H3/t20-,21+,22-/m0/s1
SMILES CC[C@]1(C=O)CC(C(=O)OC)=C2Nc3cc(OC)c(O)cc3[C@@]23CCN(C(C)=O)[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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