Arecatannin A1

Properties Image MNX_ID MNXM42542 reference keggC:C17894 formula C45H38O18 global charge 0 mol weight 866.781 InChIKey MOJZMWJRUKIQGL-POEQRLLMSA-N InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1 SMILES OC1=CC(O)=C2C(=C1)O[C@H](C1=CC(O)=C(O)C=C1)[C@H](O)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@H](O)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC(O)=C(O)C=C1)[C@@H](O)C2 MNX internals InChI (mnx) InChI=1/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37+,38-,39+,40+,41+,42+,43+/m0/s1 SMILES (mnx) [CH:1]1=[CH:4][C:20]([OH:47])=[C:24]([OH:51])[CH:7]=[C:15]1[C@@H:41]1[C@@H:31]([OH:58])[CH2:12][C:19]2=[C:44]([C:34]([C@H:38]3[C:36]4=[C:30]([OH:57])[CH:14]=[C:29]([OH:56])[C:35]([C@H:37]5[C:33]6=[C:27]([OH:54])[CH:10]=[C:18]([OH:46])[CH:11]=[C:32]6[O:61][C@H:42]([C:16]6=[CH:8][C:25]([OH:52])=[C:21]([OH:48])[CH:5]=[CH:2]6)[C@@H:39]5[OH:59])=[C:45]4[O:63][C@H:43]([C:17]4=[CH:9][C:26]([OH:53])=[C:22]([OH:49])[CH:6]=[CH:3]4)[C@@H:40]3[OH:60])=[C:28]([OH:55])[CH:13]=[C:23]2[OH:50])[O:62]1

Parent-child relations graph

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