7-Hydroxyaloin B

Properties Image MNX_ID MNXM118562 reference chebi:196624 formula C21H22O10 global charge 0 mol weight 434.397 InChIKey HKKOALUTOMGGMT-UUBBYFPSSA-N InChI InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2/t12-,13-,17-,19+,20-,21+/m1/s1 SMILES O=C1C2=C(C=C(CO)C=C2O)[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C1C(O)=C(O)C=C2 MNX internals InChI (mnx) InChI=1/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2/t12-,13-,17-,19+,20-,21+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:10]([OH:24])=[C:16]([OH:26])[C:15]2=[C:8]1[C@@H:13]([C@H:21]1[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:17]([OH:27])[C@@H:12]([CH2:6][OH:23])[O:31]1)[C:9]1=[CH:3][C:7]([CH2:5][OH:22])=[CH:4][C:11]([OH:25])=[C:14]1[C:18]2=[O:28]

Parent-child relations graph

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