input word = C00026666

Metabolite InformationStructural formula
Name 6-Oxoalstophylline
Formula C22H24N2O4
Mw 380.17360727
CAS RN 683240-01-9
C_ID C00026666 ,
InChIKey RKVHXLFGCIDETB-RQYSULFDNA-N
InChICode InChI=1S/C22H24N2O4/c1-11(25)15-9-28-10-16-14(15)8-18-21-19(22(26)20(16)24(18)3)13-6-5-12(27-4)7-17(13)23(21)2/h5-7,9,14,16,18,20H,8,10H2,1-4H3/t14-,16+,18-,20+/m0/s1
SMILES COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@H](C3=O)N1C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
zoom in