tribuloside

Properties Image MNX_ID MNXM725805 reference chebi:80944 formula C30H26O13 global charge 0 mol weight 594.525 InChIKey DVGGLGXQSFURLP-VWMSDXGPSA-N InChI InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1 SMILES (mnx) [CH:1]1=[CH:6][C:16]([OH:31])=[CH:7][CH:2]=[C:14]1/[CH:3]=[CH:10]/[C:22](=[O:35])[O:40][CH2:13][C@@H:21]1[C@@H:24]([OH:36])[C@H:26]([OH:38])[C@@H:27]([OH:39])[C@H:30]([O:43][C:29]2=[C:28]([C:15]3=[CH:5][CH:9]=[C:17]([OH:32])[CH:8]=[CH:4]3)[O:41][C:20]3=[CH:12][C:18]([OH:33])=[CH:11][C:19]([OH:34])=[C:23]3[C:25]2=[O:37])[O:42]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0