Saxicolaline A

Properties Image MNX_ID MNXM108717 reference chebi:66176 formula C20H22NO5 global charge 1 mol weight 356.398 InChIKey NBEDEMOWLPCAIZ-LBPRGKRZSA-O InChI InChI=1S/C20H21NO5/c1-21(2)9-14(23)11-8-13(22)20(26-4)18-16-10(7-12(21)17(11)18)5-6-15(25-3)19(16)24/h5-6,8,12H,7,9H2,1-4H3,(H-,22,24)/p+1/t12-/m0/s1 SMILES COC1=C(O)C2=C(C=C1)C[C@H]1C3=C(C=C(O)C(OC)=C23)C(=O)C[N+]1(C)C MNX internals InChI (mnx) InChI=1/C20H21NO5/c1-21(2)9-14(23)11-8-13(22)20(26-4)18-16-10(7-12(21)17(11)18)5-6-15(25-3)19(16)24/h5-6,8,12H,7,9H2,1-4H3,(H-,22,24)/t12-/m0/s1 SMILES (mnx) [CH3:1][N+:21]1([CH3:2])[CH2:9][C:14](=[O:23])[C:11]2=[CH:8][C:13]([OH:22])=[C:20]([O:26][CH3:4])[C:18]3=[C:17]2[C@@H:12]1[CH2:7][C:10]1=[C:16]3[C:19]([O-:24])=[C:15]([O:25][CH3:3])[CH:6]=[CH:5]1

Parent-child relations graph

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