Smardaesidin B, (rel)-

Properties Image MNX_ID MNXM108848 reference chebi:69488 formula C20H30O4 global charge 0 mol weight 334.456 InChIKey MYLWJAXIZRHGOI-KRFUXDQASA-N InChI InChI=1S/C20H30O4/c1-5-18(4)8-9-20(24)13(11-18)14(22)10-15-17(2,3)7-6-16(23)19(15,20)12-21/h5,11,15-16,21,23-24H,1,6-10,12H2,2-4H3/t15-,16+,18-,19+,20+/m0/s1 SMILES C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)CC[C@@H](O)[C@]3(CO)[C@@]2(O)CC1 MNX internals InChI (mnx) InChI=1/C20H30O4/c1-5-18(4)8-9-20(24)13(11-18)14(22)10-15-17(2,3)7-6-16(23)19(15,20)12-21/h5,11,15-16,21,23-24H,1,6-10,12H2,2-4H3/t15-,16+,18-,19+,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:5][C@@:18]1([CH3:4])[CH2:8][CH2:9][C@@:20]2([OH:24])[C:13](=[CH:11]1)[C:14](=[O:22])[CH2:10][C@H:15]1[C:17]([CH3:2])([CH3:3])[CH2:7][CH2:6][C@@H:16]([OH:23])[C@@:19]12[CH2:12][OH:21]

Parent-child relations graph

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