Olivoretin B

Properties Image MNX_ID MNXM1100594 reference chebi:223474 formula C29H43N3O2 global charge 0 mol weight 465.682 InChIKey HQINLFPKZPQGGD-HRLBTMOQSA-N InChI InChI=1S/C29H43N3O2/c1-10-28(6)11-12-29(7,18(4)5)21-14-22-23-19(15-30-25(23)24(21)28)13-20(16-34-9)31-27(33)26(17(2)3)32(22)8/h10,14-15,17-18,20,26,30H,1,11-13,16H2,2-9H3,(H,31,33)/t20-,26-,28-,29-/m0/s1 SMILES C=C[C@@]1(C)CC[C@@](C)(C(C)C)C2=CC3=C4C(=CNC4=C21)C[C@@H](COC)NC(=O)[C@H](C(C)C)N3C MNX internals InChI (mnx) InChI=1/C29H43N3O2/c1-10-28(6)11-12-29(7,18(4)5)21-14-22-23-19(15-30-25(23)24(21)28)13-20(16-34-9)31-27(33)26(17(2)3)32(22)8/h10,14-15,17-18,20,26,30H,1,11-13,16H2,2-9H3,(H,31,33)/t20-,26-,28-,29-/m0/s1 SMILES (mnx) [CH2:1]=[CH:10][C@@:28]1([CH3:6])[CH2:11][CH2:12][C@@:29]([CH3:7])([CH:18]([CH3:4])[CH3:5])[C:21]2=[C:24]1[C:25]1=[C:23]3[C:19](=[CH:15][NH:30]1)[CH2:13][C@@H:20]([CH2:16][O:34][CH3:9])[N:31]=[C:27]([OH:33])[C@H:26]([CH:17]([CH3:2])[CH3:3])[N:32]([CH3:8])[C:22]3=[CH:14]2

Parent-child relations graph

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