2)-rhamnopyranoside]'>
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quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]

MNXM116229 is deprecated and replaced by MNXM108392
PropertiesImage
MNX_IDMNXM108392 Image of MNXM108392
referencechebi:66285
formulaC36H36O18
global charge0
mol weight756.666
InChIKeyLSMKTLJKBSXMMR-WLKGHKDFSA-N
InChIInChI=1S/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1
SMILESC[C@@H]1O[C@@H](OC2=C(C3=CC(O)=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[C@@H]2O[C@H](COC(=O)/C=C/C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C36H36O18/c1-14-26(43)30(47)34(54-35-31(48)29(46)27(44)23(52-35)13-49-24(42)9-4-15-2-6-17(37)7-3-15)36(50-14)53-33-28(45)25-21(41)11-18(38)12-22(25)51-32(33)16-5-8-19(39)20(40)10-16/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-4+/t14-,23+,26-,27+,29-,30+,31+,34+,35-,36-/m0/s1 Image of MNXM108392
SMILES (mnx)[CH3:1][C@H:14]1[C@H:26]([OH:43])[C@@H:30]([OH:47])[C@@H:34]([O:54][C@H:35]2[C@H:31]([OH:48])[C@@H:29]([OH:46])[C@H:27]([OH:44])[C@@H:23]([CH2:13][O:49][C:24](/[CH:9]=[CH:4]/[C:15]3=[CH:3][CH:7]=[C:17]([OH:37])[CH:6]=[CH:2]3)=[O:42])[O:52]2)[C@H:36]([O:53][C:33]2=[C:32]([C:16]3=[CH:10][C:20]([OH:40])=[C:19]([OH:39])[CH:8]=[CH:5]3)[O:51][C:22]3=[CH:12][C:18]([OH:38])=[CH:11][C:21]([OH:41])=[C:25]3[C:28]2=[O:45])[O:50]1
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Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66285
chebi:66285
LSMKTLJKBSXMMR-WLKGHKDFSA-N 		quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside
hmdb:HMDB0039332
LSMKTLJKBSXMMR-RUDMXATFSA-N 		2''-(6''-p-Coumaroylglucosyl)quercitrin
{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

lipidmaps:LMPK12112219
lipidmapsM:LMPK12112219
LSMKTLJKBSXMMR-WLKGHKDFSA-N 		Quercetin 3- (6'''-p-coumarylglucosyl) (1->2) -rhamnoside

hmdb:HMDB39332 		secondary/obsolete/fantasy identifier