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Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM25423

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₇H₅₅O₂₇

charge

mass

1051.29252

reference

chebi:177056

InChIKey

OPWPCWHMCUWCGG-XKYKWVHPSA-O

InChI

InChI=1S/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/p+1/b8-3+/t24-,28?,29?,30?,32-,33-,34-,35-,36?,37?,38?,39?,40+,41+,43+,44+,45-,46-,47-/m1/s1

SMILES

O=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cc1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)C2O)C(O)[C@@H]1O

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:177056 chebi:177056	Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside [(3S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-[4-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
lipidmaps:LMPK12010197 lipidmapsM:LMPK12010197	Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside
seed.compound:cpd29009 seedM:cpd29009	cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside
seedM:M_cpd29009	secondary/obsolete/fantasy identifier