CHEBI:191529 - 3-Methylellagic acid 8-rhamnoside

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ChEBI Name 3-Methylellagic acid 8-rhamnoside
ChEBI ID CHEBI:191529
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O12
Net Charge 0
Average Mass 462.363
Monoisotopic Mass 462.07983
InChI InChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3
InChIKey UNIJYMVRSKZTJI-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=3OC(=O)C=4C=5C3C(=CC2O)C(OC5C(OC)=C(O)C4)=O)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Methylellagic acid 8-rhamnoside (CHEBI:191529) is a tannin (CHEBI:26848)
IUPAC Name
6,13-dihydroxy-7-methoxy-14-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Manual Xref Database
HMDB0037079 HMDB
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