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CHEBI:173147 - 6-({10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-propyl-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:173147
ChEBI Name6-({10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-propyl-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O12
Net Charge0
Average Mass550.557
Monoisotopic Mass550.20503
SMILESCCCC(=O)c1c2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(CCC)cc(=O)oc13)CC(O)C(C)(C)O2
InChIInChI=1S/C27H34O12/c1-5-7-11-9-15(30)36-23-16(11)21(37-26-20(33)18(31)19(32)24(38-26)25(34)35)12-10-14(29)27(3,4)39-22(12)17(23)13(28)8-6-2/h9,14,18-20,24,26,29,31-33H,5-8,10H2,1-4H3,(H,34,35)
InChIKeyNPQIUMWOMVHUQF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
6-({10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-propyl-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:173147) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-propyl-3,4-dihydropyrano[3,2-g]chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid