Viniferol A

Properties Image MNX_ID MNXM145323 reference hmdb:HMDB0036352 formula C56H42O12 global charge 0 mol weight 906.94 InChIKey LSNFJDFYAZDWFX-UHFFFAOYSA-N InChI InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-48-39(21-37(64)23-42(48)67-56(50)28-7-15-33(60)16-8-28)49-45(26-3-11-31(58)12-4-26)51-41(66)24-43-52(54(51)53(44)49)46(29-17-34(61)19-35(62)18-29)55(68-43)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H SMILES OC1=CC=C(C2OC3=C(C4=C(C(O)=C3)C(C3=CC=C(O)C=C3)C3C5=CC(O)=CC6=C5C(C5=C(C(O)=CC(O)=C5)C(C5=CC=C(O)C=C5)C43)C(C3=CC=C(O)C=C3)O6)C2C2=CC(O)=CC(O)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-48-39(21-37(64)23-42(48)67-56(50)28-7-15-33(60)16-8-28)49-45(26-3-11-31(58)12-4-26)51-41(66)24-43-52(54(51)53(44)49)46(29-17-34(61)19-35(62)18-29)55(68-43)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44?,45?,46?,49?,50?,53?,55?,56? SMILES (mnx) [CH:1]1=[CH:9][C:30]([OH:57])=[CH:10][CH:2]=[C:25]1[CH:44]1[C:47]2=[C:38]([CH:20]=[C:36]([OH:63])[CH:22]=[C:40]2[OH:65])[CH:50]2[C:48]3=[C:39]([CH:21]=[C:37]([OH:64])[CH:23]=[C:42]3[O:67][CH:56]2[C:28]2=[CH:8][CH:16]=[C:33]([OH:60])[CH:15]=[CH:7]2)[CH:49]2[CH:45]([C:26]3=[CH:4][CH:12]=[C:31]([OH:58])[CH:11]=[CH:3]3)[C:51]3=[C:54]([C:52]4=[C:43]([CH:24]=[C:41]3[OH:66])[O:68][CH:55]([C:27]3=[CH:6][CH:14]=[C:32]([OH:59])[CH:13]=[CH:5]3)[CH:46]4[C:29]3=[CH:17][C:34]([OH:61])=[CH:19][C:35]([OH:62])=[CH:18]3)[CH:53]12

Parent-child relations graph

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