6-{[2-(2,4-dihydroxyphenyl)-5-hydroxy-3-[(6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Properties Image MNX_ID MNXM1129054 reference chebi:169053 formula C36H42O13 global charge 0 mol weight 682.719 InChIKey YEXQAKTTXSLRHP-HIWZCGDISA-N InChI InChI=1S/C36H42O13/c1-17(2)8-11-22-25(48-36-32(44)30(42)31(43)34(49-36)35(45)46)15-26-27(28(22)40)29(41)23(12-9-18(3)6-5-7-19(4)16-37)33(47-26)21-13-10-20(38)14-24(21)39/h7-10,13-15,30-32,34,36-40,42-44H,5-6,11-12,16H2,1-4H3,(H,45,46)/b18-9-,19-7+ SMILES CC(C)=CCC1=C(OC2OC(C(=O)O)C(O)C(O)C2O)C=C2OC(C3=C(O)C=C(O)C=C3)=C(C/C=C(/C)CC/C=C(\C)CO)C(=O)C2=C1O MNX internals InChI (mnx) InChI=1/C36H42O13/c1-17(2)8-11-22-25(48-36-32(44)30(42)31(43)34(49-36)35(45)46)15-26-27(28(22)40)29(41)23(12-9-18(3)6-5-7-19(4)16-37)33(47-26)21-13-10-20(38)14-24(21)39/h7-10,13-15,30-32,34,36-40,42-44H,5-6,11-12,16H2,1-4H3,(H,45,46)/b18-9-,19-7+/t30?,31?,32?,34?,36? SMILES (mnx) [CH3:1][C:17]([CH3:2])=[CH:8][CH2:11][C:22]1=[C:28]([OH:40])[C:27]2=[C:26]([CH:15]=[C:25]1[O:48][CH:36]1[CH:32]([OH:44])[CH:30]([OH:42])[CH:31]([OH:43])[CH:34]([C:35](=[O:45])[OH:46])[O:49]1)[O:47][C:33]([C:21]1=[C:24]([OH:39])[CH:14]=[C:20]([OH:38])[CH:10]=[CH:13]1)=[C:23]([CH2:12]/[CH:9]=[C:18](/[CH3:3])[CH2:6][CH2:5]/[CH:7]=[C:19](\[CH3:4])[CH2:16][OH:37])[C:29]2=[O:41]

Parent-child relations graph

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