Pyrafoline D

Properties Image MNX_ID MNXM130098 reference hmdb:HMDB0038828 formula C23H25NO2 global charge 0 mol weight 347.458 InChIKey WWXYBSVWYPHUPZ-UHFFFAOYSA-N InChI InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3 SMILES CC(C)=CCCC1(C)C=CC2=C(C=CC3=C2NC2=CC(O)=C(C)C=C23)O1 MNX internals InChI (mnx) InChI=1/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-17-21(26-23)8-7-16-18-12-15(3)20(25)13-19(18)24-22(16)17/h6-9,11-13,24-25H,5,10H2,1-4H3/t23? SMILES (mnx) [CH3:1][C:14]([CH3:2])=[CH:6][CH2:5][CH2:10][C:23]1([CH3:4])[CH:11]=[CH:9][C:17]2=[C:21]([CH:8]=[CH:7][C:16]3=[C:22]2[NH:24][C:19]2=[CH:13][C:20]([OH:25])=[C:15]([CH3:3])[CH:12]=[C:18]32)[O:26]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0