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Quercetin 3-(2'''-(E)-caffeylsophoroside]-7-glucoside

PropertiesImageOccurences in reactions
MNX_IDMNXM1104825Image of MNXM1104825
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC42H46O25
charge0
mass950.23282
referencelipidmapsM:LMPK12112159
InChIKeyQBXRXORKIXERDE-GLVOJIAGSA-N
InChIInChI=1S/C42H46O25/c43-11-23-28(52)32(56)35(59)40(62-23)60-16-9-21(50)27-22(10-16)61-36(15-3-5-18(47)20(49)8-15)37(31(27)55)66-42-39(34(58)30(54)25(13-45)64-42)67-41-38(33(57)29(53)24(12-44)63-41)65-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24?,25?,28+,29-,30+,32?,33?,34-,35?,38?,39?,40+,41-,42-/m0/s1
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)[C@@H](O)C(CO)O[C@H]1OC1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)cc(O)c3c2=O)OC(CO)[C@@H](O)[C@@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMPK12112159
lipidmapsM:LMPK12112159
Quercetin 3-(2'''-(E)-caffeylsophoroside]-7-glucoside
hmdb:HMDB0040841 Quercetin 3-(2-caffeoylsophoroside) 7-glucoside
2-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
2-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Quercetin 3-(2'''-(e)-caffeylsophoroside]-7-glucoside
CHEBI:169871
chebi:169871
Quercetin 3-(2-caffeoylsophoroside) 7-glucoside
[2-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
hmdb:HMDB40841 secondary/obsolete/fantasy identifier