Prodelphinidin A2 3'-gallate

Properties Image MNX_ID MNXM129964 reference hmdb:HMDB0039730 formula C37H28O18 global charge 0 mol weight 760.613 InChIKey WXQMTHFXSUBUEQ-UHFFFAOYSA-N InChI InChI=1S/C37H28O18/c38-14-7-17(40)27-24(8-14)54-37(13-5-22(45)32(49)23(46)6-13)35(50)29(27)28-25(55-37)10-16(39)15-9-26(52-36(51)12-3-20(43)31(48)21(44)4-12)33(53-34(15)28)11-1-18(41)30(47)19(42)2-11/h1-8,10,26,29,33,35,38-50H,9H2 SMILES O=C(OC1CC2=C(OC1C1=CC(O)=C(O)C(O)=C1)C1=C(C=C2O)OC2(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C1C2O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C37H28O18/c38-14-7-17(40)27-24(8-14)54-37(13-5-22(45)32(49)23(46)6-13)35(50)29(27)28-25(55-37)10-16(39)15-9-26(52-36(51)12-3-20(43)31(48)21(44)4-12)33(53-34(15)28)11-1-18(41)30(47)19(42)2-11/h1-8,10,26,29,33,35,38-50H,9H2/t26?,29?,33?,35?,37? SMILES (mnx) [CH:1]1=[C:11]([CH:33]2[CH:26]([O:52][C:36]([C:12]3=[CH:3][C:20]([OH:43])=[C:31]([OH:48])[C:21]([OH:44])=[CH:4]3)=[O:51])[CH2:9][C:15]3=[C:16]([OH:39])[CH:10]=[C:25]4[C:28](=[C:34]3[O:53]2)[CH:29]2[C:27]3=[C:17]([OH:40])[CH:7]=[C:14]([OH:38])[CH:8]=[C:24]3[O:54][C:37]([C:13]3=[CH:5][C:22]([OH:45])=[C:32]([OH:49])[C:23]([OH:46])=[CH:6]3)([CH:35]2[OH:50])[O:55]4)[CH:2]=[C:19]([OH:42])[C:30]([OH:47])=[C:18]1[OH:41]

Parent-child relations graph

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