Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside

Properties Image MNX_ID MNXM23460 reference lipidmapsM:LMPK12010208 formula C66H69O35 global charge 1 mol weight 1422.243 InChIKey KSAPUZOIPBGBPL-JVSNCBASSA-O InChI InChI=1S/C66H68O35/c67-22-43-50(79)54(83)58(87)64(97-43)95-41-20-32(70)19-40-33(41)21-42(61(93-40)29-6-8-35(72)37(74)17-29)96-66-62(101-65-60(89)56(85)52(81)45(99-65)24-90-47(76)10-3-26-1-7-34(71)36(73)15-26)57(86)53(82)46(100-66)25-92-48(77)11-4-27-2-9-39(38(75)16-27)94-63-59(88)55(84)51(80)44(98-63)23-91-49(78)12-5-28-13-30(68)18-31(69)14-28/h1-21,43-46,50-60,62-67,79-89H,22-25H2,(H7-,68,69,70,71,72,73,74,75,76)/p+1/b11-4+,12-5+/t43-,44-,45-,46-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59-,60-,62-,63-,64-,65+,66-/m1/s1 SMILES O=C(/C=C/C1=CC(O)=CC(O)=C1)OC[C@H]1O[C@@H](OC2=C(O)C=C(/C=C/C(=O)OC[C@H]3O[C@@H](OC4=C(C5=CC(O)=C(O)C=C5)[O+]=C5C=C(O)C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)[C@H](O[C@@H]4O[C@H](COC(=O)/C=C/C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C66H68O35/c67-22-43-50(79)54(83)58(87)64(97-43)95-41-20-32(70)19-40-33(41)21-42(61(93-40)29-6-8-35(72)37(74)17-29)96-66-62(101-65-60(89)56(85)52(81)45(99-65)24-90-47(76)10-3-26-1-7-34(71)36(73)15-26)57(86)53(82)46(100-66)25-92-48(77)11-4-27-2-9-39(38(75)16-27)94-63-59(88)55(84)51(80)44(98-63)23-91-49(78)12-5-28-13-30(68)18-31(69)14-28/h1-21,43-46,50-60,62-67,79-89H,22-25H2,(H7-,68,69,70,71,72,73,74,75,76)/b11-4+,12-5+/t43-,44-,45-,46-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59-,60-,62-,63-,64-,65+,66-/m1/s1 SMILES (mnx) [CH:1]1=[CH:7][C:34]([OH:71])=[C:36]([OH:73])[CH:15]=[C:26]1[CH:3]=[CH:10][C:47](=[O:76])[O:90][CH2:24][C@@H:45]1[C@@H:52]([OH:81])[C@H:56]([OH:85])[C@@H:60]([OH:89])[C@H:65]([O:101][C@@H:62]2[C@@H:57]([OH:86])[C@H:53]([OH:82])[C@@H:46]([CH2:25][O:92][C:48](/[CH:11]=[CH:4]/[C:27]3=[CH:16][C:38]([O-:75])=[C:39]([O:94][C@H:63]4[C@H:59]([OH:88])[C@@H:55]([OH:84])[C@H:51]([OH:80])[C@@H:44]([CH2:23][O:91][C:49](/[CH:12]=[CH:5]/[C:28]5=[CH:13][C:30]([OH:68])=[CH:18][C:31]([OH:69])=[CH:14]5)=[O:78])[O:98]4)[CH:9]=[CH:2]3)=[O:77])[O:100][C@H:66]2[O:96][C:42]2=[CH:21][C:33]3=[C:40]([CH:19]=[C:32]([OH:70])[CH:20]=[C:41]3[O:95][C@H:64]3[C@H:58]([OH:87])[C@@H:54]([OH:83])[C@H:50]([OH:79])[C@@H:43]([CH2:22][OH:67])[O:97]3)[O+:93]=[C:61]2[C:29]2=[CH:17][C:37]([OH:74])=[C:35]([OH:72])[CH:8]=[CH:6]2)[O:99]1

Parent-child relations graph

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