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cyanidin 3-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]

MNXM29097 is deprecated and here replaced by MNXM1368962
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368962 Image of MNXM1368962
referencechebi:77931
formulaC41H43O22
global charge-1
mol weight887.773
InChIKeyAVYXHYMPVRRQIG-AHMSEWCKSA-M
InChIInChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p-1/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC(O)=C(O)C=C4)[O+]=C4C=C([O-])C=C([O-])C4=C3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/b8-3?/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1 Image of MNXM1368962
SMILES (mnx)[CH:1]1=[CH:5][C:18]([OH:42])=[CH:6][CH:2]=[C:16]1[CH:3]=[CH:8][C:29]([O-:48])=[O+:56][CH2:14][C@@H:27]1[C@@H:31]([OH:50])[C@H:33]([OH:52])[C@@H:36]([OH:55])[C@H:39]([O:58][CH2:15][C@@H:28]2[C@H:32]([OH:51])[C@H:34]([OH:53])[C@@H:38]([O:63][C@H:40]3[C@H:35]([OH:54])[C@@H:30]([OH:49])[C@H:24]([OH:47])[CH2:13][O:57]3)[C@H:41]([O:60][C:26]3=[C:37]([C:17]4=[CH:9][C:23]([OH:46])=[C:21]([OH:44])[CH:7]=[CH:4]4)[O:59][C:25]4=[CH:11][C:19]([OH:43])=[CH:10][C:22](=[O:45])[C:20]4=[CH:12]3)[O:62]2)[O:61]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77931
chebi:77931
AVYXHYMPVRRQIG-AHMSEWCKSA-M 		cyanidin 3-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]
2-(3,4-dihydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosyl}oxy)chromenium-5,7-diolate
cyanidin 3-O-{6-O-[6-O-(4-coumaroyl)-beta-D-glucosyl]-2-O-beta-D-xylosyl-beta-D-galactoside}(1-)

kegg.compound:C20460
keggC:C20460
AVYXHYMPVRRQIG-AHMSEWCKSA-O 		Cyanidin 3-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]

lipidmaps:LMPK12010103
lipidmapsM:LMPK12010103
AVYXHYMPVRRQIG-AHMSEWCKSA-O 		Cyanidin 3-[6-(6-p-coumarylglucosyl)-2-xylosylgalactoside]

CHEBI:71499
chebi:71499
AVYXHYMPVRRQIG-AHMSEWCKSA-O 		cyanidin 3-O-{6-O-[6-O-(4-coumaroyl)-beta-D-glucosyl]-2-O-beta-D-xylosyl-beta-D-galactoside}
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside
cyanidin 3-O-{6-O-[6-O-(4-coumaroyl)glucosyl]-2-O-xylosylgalactoside}

keggC:M_C20460 		secondary/obsolete/fantasy identifier