input word = C00038925

Metabolite InformationStructural formula
Name Danuphylline
(-)-Danuphylline
Formula C24H26N2O8
Mw 470.16891582
CAS RN 213478-78-5
C_ID C00038925 ,
InChIKey JHZSPIZZIWORMX-OLLWHINLNA-N
InChICode InChI=1S/C24H26N2O8/c1-31-20(29)24-8-7-22-6-3-9-25(12-27)19(22)23(24,11-14(28)10-22)15-4-5-16-18(34-13-33-16)17(15)26(24)21(30)32-2/h4-5,12,19H,3,6-11,13H2,1-2H3/t19-,22-,23-,24-/m0/s1
SMILES COC(=O)N1c2c(ccc3c2OCO3)C23CC(=O)CC4(CCCN(C=O)[C@@H]42)CCC13C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia dasyrachis Ref.
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