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CHEBI:189985 - 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside]

ChEBI IDCHEBI:189985
ChEBI Name4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H30O15
Net Charge0
Average Mass630.555
Monoisotopic Mass630.15847
SMILESCC(=O)CCc1ccc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1
InChIInChI=1S/C30H30O15/c1-13(31)2-3-14-4-6-17(7-5-14)43-30-27(45-29(41)16-10-20(34)24(37)21(35)11-16)26(39)25(38)22(44-30)12-42-28(40)15-8-18(32)23(36)19(33)9-15/h4-11,22,25-27,30,32-39H,2-3,12H2,1H3
InChIKeyGLAXWGBAKGLFEU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] (CHEBI:189985) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039314HMDB