6''-O-Malonylwistin

Properties Image MNX_ID MNXM15769 reference chebi:191448 formula C26H26O13 global charge 0 mol weight 546.481 InChIKey HOWDEROVXAADRI-UHFFFAOYSA-N InChI InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28) SMILES COC1=CC=C(C2=COC3=CC(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)=C(OC)C=C3C2=O)C=C1 MNX internals InChI (mnx) InChI=1/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)/t19?,23?,24?,25?,26? SMILES (mnx) [CH3:1][O:34][C:13]1=[CH:6][CH:4]=[C:12]([C:15]2=[CH:10][O:36][C:16]3=[CH:8][C:18]([O:38][CH:26]4[CH:25]([OH:33])[CH:24]([OH:32])[CH:23]([OH:31])[CH:19]([CH2:11][O:37][C:21]([CH2:9][C:20](=[O:27])[OH:28])=[O:29])[O:39]4)=[C:17]([O:35][CH3:2])[CH:7]=[C:14]3[C:22]2=[O:30])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0