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CHEBI:192048 - 2-Cinnamoyl-1,6-digalloyl-beta-D-glucopyranose

ChEBI IDCHEBI:192048
ChEBI Name2-Cinnamoyl-1,6-digalloyl-beta-D-glucopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26O15
Net Charge0
Average Mass614.512
Monoisotopic Mass614.12717
SMILESO=C(/C=C\c1ccccc1)OC1C(OC(=O)c2cc(O)c(O)c(O)c2)OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O
InChIInChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)41-12-20-24(37)25(38)26(43-21(34)7-6-13-4-2-1-3-5-13)29(42-20)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6-
InChIKeyAKNNKSLRUQXXCZ-SREVYHEPSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
2-Cinnamoyl-1,6-digalloyl-beta-D-glucopyranose (CHEBI:192048) is a tannin (CHEBI:26848)
IUPAC Name 
[3,4-dihydroxy-5-[(Z)-3-phenylprop-2-enoyl]oxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039192HMDB