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Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside

MNXM25423 is deprecated and here replaced by MNXM1368862
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368862 Image of MNXM1368862
referencechebi:177056
formulaC47H55O27
global charge1
mol weight1051.93
InChIKeyOPWPCWHMCUWCGG-XKYKWVHPSA-O
InChIInChI=1S/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/p+1/b8-3+/t24-,28?,29?,30?,32-,33-,34-,35-,36?,37?,38?,39?,40+,41+,43+,44+,45-,46-,47-/m1/s1
SMILESO=C(/C=C/C1=CC=C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)C=C1)OCC1O[C@@H](OC2=CC3=C(C=C(O)C=C3O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)C2O)C(O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/b8-3+/t24-,28?,29?,30?,32-,33-,34-,35-,36?,37?,38?,39?,40+,41+,43+,44+,45-,46-,47-/m1/s1 Image of MNXM1368862
SMILES (mnx)[CH:1]1=[CH:5][C:20]([O:67][C@H:45]2[C@@H:40]([OH:63])[CH:36]([OH:59])[C@H:33]([OH:56])[CH:28]([CH2:13][OH:48])[O:71]2)=[CH:6][CH:2]=[C:17]1/[CH:3]=[CH:8]/[C:31](=[O:54])[O:65][CH2:16][CH:30]1[C@@H:35]([OH:58])[CH:38]([OH:61])[C@H:43]([O:74][C@H:44]2[CH:39]([OH:62])[C@H:32]([OH:55])[C@H:24]([OH:53])[CH2:15][O:66]2)[C@H:47]([O:70][C:27]2=[CH:12][C:21]3=[C:25]([CH:10]=[C:19]([OH:50])[CH:11]=[C:26]3[O:69][C@H:46]3[C@@H:41]([OH:64])[CH:37]([OH:60])[C@H:34]([OH:57])[CH:29]([CH2:14][OH:49])[O:72]3)[O+:68]=[C:42]2[C:18]2=[CH:9][C:23]([O-:52])=[C:22]([OH:51])[CH:7]=[CH:4]2)[O:73]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177056
chebi:177056
OPWPCWHMCUWCGG-XKYKWVHPSA-O 		Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside
[(3S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-[4-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate