3-O-alpha-L-Arabinopyranosylcinnamtannin B1

Properties Image MNX_ID MNXM117573 reference chebi:191762 formula C50H44O22 global charge 0 mol weight 996.88 InChIKey QWIMQWJUSBZQGZ-UHFFFAOYSA-N InChI InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2 SMILES OC1=CC2=C(C(O)=C1)C1C3=C(C=C(O)C4=C3OC(C3=CC(O)=C(O)C=C3)C(O)C4C3=C(O)C=C(O)C4=C3OC(C3=CC(O)=C(O)C=C3)C(O)C4)OC(C3=CC(O)=C(O)C=C3)(O2)C1OC1OCC(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2/t31?,32?,39?,40?,41?,42?,43?,44?,45?,48?,49?,50? SMILES (mnx) [CH:1]1=[CH:4][C:21]([OH:52])=[C:25]([OH:56])[CH:7]=[C:16]1[CH:44]1[CH:31]([OH:62])[CH2:12][C:20]2=[C:46]([C:36]([CH:39]3[C:37]4=[C:47]([C:38]5=[C:34]([CH:14]=[C:30]4[OH:61])[O:72][C:50]4([C:18]6=[CH:9][C:27]([OH:58])=[C:23]([OH:54])[CH:6]=[CH:3]6)[CH:48]([O:70][CH:49]6[CH:43]([OH:66])[CH:41]([OH:64])[CH:32]([OH:63])[CH2:15][O:67]6)[CH:40]5[C:35]5=[C:28]([OH:59])[CH:10]=[C:19]([OH:51])[CH:11]=[C:33]5[O:71]4)[O:69][CH:45]([C:17]4=[CH:8][C:26]([OH:57])=[C:22]([OH:53])[CH:5]=[CH:2]4)[CH:42]3[OH:65])=[C:29]([OH:60])[CH:13]=[C:24]2[OH:55])[O:68]1

Parent-child relations graph

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