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CHEBI:176870 - Epicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside)

ChEBI IDCHEBI:176870
ChEBI NameEpicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O12
Net Charge0
Average Mass582.558
Monoisotopic Mass582.17373
SMILESO=C(/C=C/c1ccccc1)OC1[C@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H30O12/c31-14-24-26(37)27(38)29(42-25(36)9-6-15-4-2-1-3-5-15)30(41-24)40-23-13-18-20(34)11-17(32)12-22(18)39-28(23)16-7-8-19(33)21(35)10-16/h1-12,23-24,26-35,37-38H,13-14H2/b9-6+/t23-,24?,26+,27-,28+,29?,30+/m0/s1
InChIKeySKGHMIPXASYQPA-QCHMDTEGSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma congolense (ncbitaxon:5692) Whole Organism (NCIT:C13413) MetaboLights (MTBLS2372)
ChEBI Ontology
Outgoing Relation(s)
Epicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside) (CHEBI:176870) is a flavonoids (CHEBI:72544)
Epicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside) (CHEBI:176870) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,4S,5S)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
24842525ChemSpider
LMPK12020048LIPID MAPS