(1R,2S,3S,4S,5S,8R,9R,12R)-5-Hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid

Properties Image MNX_ID MNXM3993 reference chebi:182499 formula C20H28O6 global charge 0 mol weight 364.438 InChIKey UAKKWAVFAPTAOA-SQLMURCQSA-N InChI InChI=1S/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1 SMILES C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(CO)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O MNX internals InChI (mnx) InChI=1/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1 SMILES (mnx) [CH2:1]=[C:10]1[CH2:7][C@:20]23[CH2:8][C@H:11]1[CH2:3][CH2:4][C@H:12]2[C@:19]1([CH2:9][OH:21])[CH2:6][CH2:5][C@H:13]([OH:22])[C@@:18]([CH3:2])([C:17](=[O:25])[OH:26])[C@H:15]1[C@@H:14]3[C:16](=[O:23])[OH:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0