hyemaloside C

Properties Image MNX_ID MNXM105650 reference chebi:66052 formula C40H30O23 global charge 0 mol weight 878.657 InChIKey BIUWKTLZFMHRQE-RYQQTUIDSA-N InChI InChI=1S/C40H30O23/c41-14-1-3-15(4-2-14)59-40-35(63-37(55)13-7-20(44)28(49)21(45)8-13)34(62-36(54)12-5-18(42)27(48)19(43)6-12)33-24(60-40)11-58-38(56)16-9-22(46)29(50)31(52)25(16)26-17(39(57)61-33)10-23(47)30(51)32(26)53/h1-10,24,33-35,40-53H,11H2/t24-,33-,34+,35-,40-/m1/s1 SMILES O=C(O[C@@H]1[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC2=CC=C(O)C=C2)O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]12)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C40H30O23/c41-14-1-3-15(4-2-14)59-40-35(63-37(55)13-7-20(44)28(49)21(45)8-13)34(62-36(54)12-5-18(42)27(48)19(43)6-12)33-24(60-40)11-58-38(56)16-9-22(46)29(50)31(52)25(16)26-17(39(57)61-33)10-23(47)30(51)32(26)53/h1-10,24,33-35,40-53H,11H2/t24-,33-,34+,35-,40-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:15]([O:59][C@H:40]2[C@H:35]([O:63][C:37]([C:13]3=[CH:7][C:20]([OH:44])=[C:28]([OH:49])[C:21]([OH:45])=[CH:8]3)=[O:55])[C@@H:34]([O:62][C:36]([C:12]3=[CH:5][C:18]([OH:42])=[C:27]([OH:48])[C:19]([OH:43])=[CH:6]3)=[O:54])[C@H:33]3[C@@H:24]([CH2:11][O:58][C:38](=[O:56])[C:16]4=[CH:9][C:22]([OH:46])=[C:29]([OH:50])[C:31]([OH:52])=[C:25]4[C:26]4=[C:17]([CH:10]=[C:23]([OH:47])[C:30]([OH:51])=[C:32]4[OH:53])[C:39](=[O:57])[O:61]3)[O:60]2)=[CH:4][CH:2]=[C:14]1[OH:41]

Parent-child relations graph

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