Search MNXref
 Feedback

cyanidin 3-O-rutinoside 5-O-beta-D-glucoside

MNXM7212 is deprecated and here replaced by MNXM1370820
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370820 Image of MNXM1370820
referencechebi:57830
formulaC33H40O20
global charge0
mol weight756.663
InChIKeyDFJZNAHUOVEDQB-HWKLKBEVSA-N
InChIInChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C([O-])C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 Image of MNXM1370820
SMILES (mnx)[CH3:1][C@H:10]1[C@H:21]([OH:38])[C@@H:24]([OH:41])[C@@H:27]([OH:44])[C@H:31]([O:47][CH2:9][C@@H:20]2[C@@H:23]([OH:40])[C@H:26]([OH:43])[C@@H:29]([OH:46])[C@H:33]([O:51][C:18]3=[CH:7][C:13]4=[C:16]([CH:5]=[C:12]([OH:35])[CH:6]=[C:17]4[O:50][C@H:32]4[C@H:28]([OH:45])[C@@H:25]([OH:42])[C@H:22]([OH:39])[C@@H:19]([CH2:8][OH:34])[O:52]4)[O+:49]=[C:30]3[C:11]3=[CH:4][C:15]([O-:37])=[C:14]([OH:36])[CH:3]=[CH:2]3)[O:53]2)[O:48]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:57830
chebi:57830
DFJZNAHUOVEDQB-HWKLKBEVSA-N 		cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-[(2,4-dideoxy-2,4-dimethyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)chromenium-7-olate
cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine

vmhM:c3rsd5bgsd
vmhmetabolite:c3rsd5bgsd
DFJZNAHUOVEDQB-HWKLKBEVSA-O 		Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside

kegg.compound:C12646
keggC:C12646
DFJZNAHUOVEDQB-HWKLKBEVSA-O 		Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
Cyanidin 3-rutinoside 5-glucoside

lipidmaps:LMPK12010128
lipidmapsM:LMPK12010128
DFJZNAHUOVEDQB-HWKLKBEVSA-O 		Cyanidin 3-rutinoside-5-glucoside

CHEBI:16596
chebi:16596
DFJZNAHUOVEDQB-HWKLKBEVSA-O 		cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
3-[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside
3-[6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside
Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside

metacyc.compound:CPD-15002
metacycM:CPD-15002
DFJZNAHUOVEDQB-HWKLKBEVSA-N 		cyanidin-3-O-rutinoside-5-O-beta-D-glucoside
a cyanidin-3-O-rutinoside-5-O-beta-D-glucoside
cyanidin 3-rutinoside-5-glucoside

chebi:14040
chebi:23432
chebi:31443
chebi:3977
keggC:M_C12646
vmhM:M_c3rsd5bgsd 		secondary/obsolete/fantasy identifier