CHEBI:192433 - Malvidin-3-O-(6-p-coumaroyl)glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Malvidin-3-O-(6-p-coumaroyl)glucoside
ChEBI ID CHEBI:192433
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H31O14
Net Charge +1
Average Mass 639.585
Monoisotopic Mass 639.17083
InChI InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1/t25-,28-,29+,30-,32-/m0/s1
InChIKey HXQOVGDXCHFLOP-VNAFEJHWSA-O
SMILES O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)COC(=O)/C=C/C5=CC=C(O)C=C5
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Malvidin-3-O-(6-p-coumaroyl)glucoside (CHEBI:192433) is a flavonoids (CHEBI:72544)
Malvidin-3-O-(6-p-coumaroyl)glucoside (CHEBI:192433) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate