input word = C00024540

Metabolite InformationStructural formula
Name Kitraline
Formula C22H26N2O4
Mw 382.18925733
CAS RN 59086-88-3
C_ID C00024540 ,
InChIKey PWOOYNOBJFJZLT-HYOMKSGCNA-N
InChICode InChI=1S/C22H26N2O4/c1-14-19-9-6-11-24-12-10-20(17(19)24)15-7-4-5-8-16(15)23-22(20,27-3)21(13-19,28-14)18(25)26-2/h4-9,14,17,23H,10-13H2,1-3H3/t14-,17-,19+,20+,21?,22-/m0/s1
SMILES COC(=O)[C@]12CC3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15OC)[C@@H]43)[C@H](C)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus ovalis Ref.
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