Huajiaosimuline

Properties Image MNX_ID MNXM126564 reference hmdb:HMDB0040369 formula C20H23NO3 global charge 0 mol weight 325.408 InChIKey NYATVLNHGXEKDI-UHFFFAOYSA-N InChI InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3 SMILES CC(C)C(=O)CCC1(C)C=CC2=C(O1)C1=CC=CC=C1N(C)C2=O MNX internals InChI (mnx) InChI=1/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3/t20? SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C:17]([CH2:10][CH2:12][C:20]1([CH3:3])[CH:11]=[CH:9][C:15]2=[C:18]([C:14]3=[CH:7][CH:5]=[CH:6][CH:8]=[C:16]3[N:21]([CH3:4])[C:19]2=[O:23])[O:24]1)=[O:22]

Parent-child relations graph

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