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CHEBI:187692 - Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)

ChEBI IDCHEBI:187692
ChEBI NameMaclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24O13
Net Charge0
Average Mass544.465
Monoisotopic Mass544.12169
SMILESO=C(OCC1OC(c2c(O)cc(O)c(C(=O)c3ccc(O)c(O)c3)c2O)C(O)C(O)C1O)c1ccc(O)cc1
InChIInChI=1S/C26H24O13/c27-12-4-1-10(2-5-12)26(37)38-9-17-21(33)23(35)24(36)25(39-17)19-16(31)8-15(30)18(22(19)34)20(32)11-3-6-13(28)14(29)7-11/h1-8,17,21,23-25,27-31,33-36H,9H2
InChIKeyNJIPOSKZXKMYEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside) (CHEBI:187692) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
Manual XrefsDatabases
35013459ChemSpider
HMDB0032646HMDB