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CHEBI:168439 - 3-Methylellagic acid 8-(2-acetylrhamnoside)

ChEBI IDCHEBI:168439
ChEBI Name3-Methylellagic acid 8-(2-acetylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O13
Net Charge0
Average Mass504.400
Monoisotopic Mass504.09039
SMILESCOc1c(O)cc2c(=O)oc3c(OC4OC(C)C(O)C(O)C4OC(C)=O)c(O)cc4c(=O)oc1c2c34
InChIInChI=1S/C23H20O13/c1-6-14(27)15(28)20(33-7(2)24)23(32-6)36-17-11(26)5-9-13-12-8(22(30)35-19(13)17)4-10(25)16(31-3)18(12)34-21(9)29/h4-6,14-15,20,23,25-28H,1-3H3
InChIKeyXOBMJVRDRZBSBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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 8-(2-acetylrhamnoside) (CHEBI:168439) is a tannin (CHEBI:26848)
IUPAC Name 
[2-[(6,13-dihydroxy-14-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-7-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl] acetate
Manual XrefsDatabases
HMDB0037080HMDB