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CHEBI:192853 - 6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin

ChEBI IDCHEBI:192853
ChEBI Name6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O15
Net Charge0
Average Mass592.506
Monoisotopic Mass592.14282
SMILESCC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
InChIInChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)
InChIKeyZALWWUJLKFBCQF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin (CHEBI:192853) is a flavonoids (CHEBI:72544)
6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin (CHEBI:192853) is a glycoside (CHEBI:24400)
IUPAC Name 
5-[[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual XrefsDatabases
23551006ChemSpider
HMDB0041129HMDB