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CHEBI:172786 - 3-Methylellagic acid 2-(4-galactosylglucoside)

ChEBI IDCHEBI:172786
ChEBI Name3-Methylellagic acid 2-(4-galactosylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O18
Net Charge0
Average Mass654.530
Monoisotopic Mass654.14321
SMILESCOc1c(O)cc2c(=O)oc3c(OC)c(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)cc4c(=O)oc1c2c34
InChIInChI=1S/C28H30O18/c1-39-20-9(31)3-7-13-14-8(26(38)44-23(13)20)4-10(22(40-2)24(14)45-25(7)37)41-27-19(36)17(34)21(12(6-30)43-27)46-28-18(35)16(33)15(32)11(5-29)42-28/h3-4,11-12,15-19,21,27-36H,5-6H2,1-2H3
InChIKeyNPSMQMOQUDNLHU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
3-Methylellagic acid 2-(4-galactosylglucoside) (CHEBI:172786) is a tannin (CHEBI:26848)
IUPAC Name 
6-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-hydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Manual XrefsDatabases
HMDB0041397HMDB