Eriocasin B, (rel)-

Properties Image MNX_ID MNXM104907 reference chebi:70356 formula C20H28O4 global charge 0 mol weight 332.44 InChIKey KHXPUTCGVCTBNK-IBKORDLPSA-N InChI InChI=1S/C20H28O4/c1-11(10-21)12-5-6-14-13(9-12)16(23)17(24)18-19(2,3)15(22)7-8-20(14,18)4/h10,12,15,17-18,22,24H,1,5-9H2,2-4H3/t12-,15-,17-,18-,20+/m1/s1 SMILES C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@@]21C MNX internals InChI (mnx) InChI=1/C20H28O4/c1-11(10-21)12-5-6-14-13(9-12)16(23)17(24)18-19(2,3)15(22)7-8-20(14,18)4/h10,12,15,17-18,22,24H,1,5-9H2,2-4H3/t12-,15-,17-,18-,20+/m1/s1 SMILES (mnx) [CH2:1]=[C:11]([CH:10]=[O:21])[C@@H:12]1[CH2:5][CH2:6][C:14]2=[C:13]([CH2:9]1)[C:16](=[O:23])[C@@H:17]([OH:24])[C@@H:18]1[C:19]([CH3:2])([CH3:3])[C@H:15]([OH:22])[CH2:7][CH2:8][C@@:20]21[CH3:4]

Parent-child relations graph

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