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CHEBI:186302 - 6-Cinnamoyl-1,2-digalloylglucose

ChEBI IDCHEBI:186302
ChEBI Name6-Cinnamoyl-1,2-digalloylglucose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26O15
Net Charge0
Average Mass614.512
Monoisotopic Mass614.12717
SMILESO=C(/C=C/c1ccccc1)OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=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)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)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+
InChIKeyQAVVLMYACCQGJA-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
6-Cinnamoyl-1,2-digalloylglucose (CHEBI:186302) is a tannin (CHEBI:26848)
IUPAC Name 
[4,5-dihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039194HMDB