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Cyanidin 3-[2-(6-(E)-caffeoyl-glucoside)-glucoside] 5-glucoside

PropertiesImageOccurences in reactions
MNX_IDMNXM1102516Image of MNXM1102516
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC43H49O24
charge1
mass949.26083
referencehmdb:HMDB0041715
InChIKeyDGVPBUDMTNUREK-FRWPPZSRSA-O
InChIInChI=1S/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0041715 Cyanidin 3-[2-(6-(E)-caffeoyl-glucoside)-glucoside] 5-glucoside
3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium
Cyanidin 3-O-(2-O-(6-O-(e)-caffeoyl-beta-D glucoside)-beta-D-glucoside)-5-O-beta-D-glucoside
lipidmaps:LMPK12010253
lipidmapsM:LMPK12010253
Peonidin 3-(6''-caffeylsophoroside)-5-glucoside
hmdb:HMDB0040501 YGM 5B
3-{[6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium
hmdb:HMDB40501
hmdb:HMDB41715
secondary/obsolete/fantasy identifier