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 N1(C)[C@@H]2c3c(c4c(n3C)cc(cc4)OC)C(=O)[C@H]1[C@H]1[C@@H](C2)C(=COC1)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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