brachystemidine A

Properties Image MNX_ID MNXM103249 reference chebi:69771 formula C15H18N2O5 global charge 0 mol weight 306.318 InChIKey BPMLAWBYBLOCCU-KZUDCZAMSA-N InChI InChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13?,14-/m0/s1 SMILES COC1CCC(=O)N1[C@@H]1C=C(COC(=O)C2=CC=CN2)CO1 MNX internals InChI (mnx) InChI=1/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13?,14-/m0/s1 SMILES (mnx) [CH3:1][O:20][CH:13]1[CH2:5][CH2:4][C:12](=[O:18])[N:17]1[C@@H:14]1[CH:7]=[C:10]([CH2:9][O:22][C:15]([C:11]2=[CH:3][CH:2]=[CH:6][NH:16]2)=[O:19])[CH2:8][O:21]1

Parent-child relations graph

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