2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone

Properties Image MNX_ID MNXM116223 reference hmdb:HMDB0040626 formula C35H30O21 global charge 0 mol weight 786.604 InChIKey AAXKOSGKHIOTGK-UHFFFAOYSA-N InChI InChI=1S/C35H30O21/c1-10(36)23-14(37)8-15(38)24(29(23)49)30-32(56-35(52)13-6-20(43)27(47)21(44)7-13)31(55-34(51)12-4-18(41)26(46)19(42)5-12)28(48)22(54-30)9-53-33(50)11-2-16(39)25(45)17(40)3-11/h2-8,22,28,30-32,37-49H,9H2,1H3 SMILES CC(=O)C1=C(O)C(C2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C35H30O21/c1-10(36)23-14(37)8-15(38)24(29(23)49)30-32(56-35(52)13-6-20(43)27(47)21(44)7-13)31(55-34(51)12-4-18(41)26(46)19(42)5-12)28(48)22(54-30)9-53-33(50)11-2-16(39)25(45)17(40)3-11/h2-8,22,28,30-32,37-49H,9H2,1H3/t22?,28?,30?,31?,32? SMILES (mnx) [CH3:1][C:10]([C:23]1=[C:29]([OH:49])[C:24]([CH:30]2[CH:32]([O:56][C:35]([C:13]3=[CH:6][C:20]([OH:43])=[C:27]([OH:47])[C:21]([OH:44])=[CH:7]3)=[O:52])[CH:31]([O:55][C:34]([C:12]3=[CH:4][C:18]([OH:41])=[C:26]([OH:46])[C:19]([OH:42])=[CH:5]3)=[O:51])[CH:28]([OH:48])[CH:22]([CH2:9][O:53][C:33]([C:11]3=[CH:2][C:16]([OH:39])=[C:25]([OH:45])[C:17]([OH:40])=[CH:3]3)=[O:50])[O:54]2)=[C:15]([OH:38])[CH:8]=[C:14]1[OH:37])=[O:36]

Parent-child relations graph

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