7alpha-hydroxylambertianic acid

Properties Image MNX_ID MNXM102203 reference chebi:69776 formula C20H28O4 global charge 0 mol weight 332.44 InChIKey JKNRRIMICPNZHS-PNDFQMOFSA-N InChI InChI=1S/C20H28O4/c1-13-15(6-5-14-7-10-24-12-14)19(2)8-4-9-20(3,18(22)23)17(19)11-16(13)21/h7,10,12,15-17,21H,1,4-6,8-9,11H2,2-3H3,(H,22,23)/t15-,16+,17+,19+,20-/m0/s1 SMILES C=C1[C@H](O)C[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCC1=COC=C1 MNX internals InChI (mnx) InChI=1/C20H28O4/c1-13-15(6-5-14-7-10-24-12-14)19(2)8-4-9-20(3,18(22)23)17(19)11-16(13)21/h7,10,12,15-17,21H,1,4-6,8-9,11H2,2-3H3,(H,22,23)/t15-,16+,17+,19+,20-/m0/s1 SMILES (mnx) [CH2:1]=[C:13]1[C@H:15]([CH2:6][CH2:5][C:14]2=[CH:12][O:24][CH:10]=[CH:7]2)[C@@:19]2([CH3:2])[CH2:8][CH2:4][CH2:9][C@:20]([CH3:3])([C:18](=[O:22])[OH:23])[C@@H:17]2[CH2:11][C@H:16]1[OH:21]

Parent-child relations graph

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