Clauraila C

Properties Image MNX_ID MNXM103888 reference chebi:69924 formula C19H17NO3 global charge 0 mol weight 307.349 InChIKey PCLJYOVKGSBXJW-UHFFFAOYSA-N InChI InChI=1S/C19H17NO3/c1-19(2)9-8-12-16(23-19)7-6-15-17(12)13-10-11(18(21)22-3)4-5-14(13)20-15/h4-10,20H,1-3H3 SMILES COC(=O)C1=CC2=C(C=C1)NC1=C2C2=C(C=C1)OC(C)(C)C=C2 MNX internals InChI (mnx) InChI=1/C19H17NO3/c1-19(2)9-8-12-16(23-19)7-6-15-17(12)13-10-11(18(21)22-3)4-5-14(13)20-15/h4-10,20H,1-3H3 SMILES (mnx) [CH3:1][C:19]1([CH3:2])[CH:9]=[CH:8][C:12]2=[C:17]3[C:13]4=[C:14]([CH:5]=[CH:4][C:11]([C:18](=[O:21])[O:22][CH3:3])=[CH:10]4)[NH:20][C:15]3=[CH:6][CH:7]=[C:16]2[O:23]1

Parent-child relations graph

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