6-Glucopyranosylprocyanidin B1

Properties Image MNX_ID MNXM118404 reference chebi:191691 formula C36H36O17 global charge 0 mol weight 740.667 InChIKey VRCSTDIDMJHJBX-ZUVQFHENSA-N InChI InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23+,27-,28+,30+,31-,32+,33+,34+,36-/m0/s1 SMILES OC[C@H]1O[C@@H](C2=C(O)C3=C(C=C2O)O[C@H](C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]3C2=C(O)C=C(O)C3=C2O[C@H](C2=CC(O)=C(O)C=C2)[C@@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23+,27-,28+,30+,31-,32+,33+,34+,36-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:14]([OH:38])=[C:17]([OH:41])[CH:5]=[C:11]1[C@@H:33]1[C@@H:21]([OH:45])[CH2:7][C:13]2=[C:35]([C:24]([C@H:27]3[C:26]4=[C:22]([CH:9]=[C:20]([OH:44])[C:25]([C@H:36]5[C@H:32]([OH:50])[C@@H:31]([OH:49])[C@H:28]([OH:46])[C@@H:23]([CH2:10][OH:37])[O:52]5)=[C:29]4[OH:47])[O:51][C@H:34]([C:12]4=[CH:6][C:18]([OH:42])=[C:15]([OH:39])[CH:4]=[CH:2]4)[C@@H:30]3[OH:48])=[C:19]([OH:43])[CH:8]=[C:16]2[OH:40])[O:53]1

Parent-child relations graph

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