(-)-Alstolucine E

Properties Image MNX_ID MNXM100883 reference chebi:70496 formula C20H22N2O4 global charge 0 mol weight 354.406 InChIKey LNRAHCYSFBURKI-RCJHKNESSA-N InChI InChI=1S/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15,21,24H,6-9H2,1-2H3/t11-,12+,15-,20+/m0/s1 SMILES COC(=O)C1=C2NC3=C(C=CC=C3O)[C@@]23CCN2C[C@H](C(C)=O)[C@@H]1C[C@H]23 MNX internals InChI (mnx) InChI=1/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15,21,24H,6-9H2,1-2H3/t11-,12+,15-,20+/m0/s1 SMILES (mnx) [CH3:1][C:10]([C@H:12]1[CH2:9][N:22]2[CH2:7][CH2:6][C@:20]34[C:13]5=[C:17]([C:14]([OH:24])=[CH:5][CH:3]=[CH:4]5)[NH:21][C:18]3=[C:16]([C:19](=[O:25])[O:26][CH3:2])[C@H:11]1[CH2:8][C@@H:15]42)=[O:23]

Parent-child relations graph

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