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CHEBI:190819 - 3,4,5-trihydroxy-6-{[3-hydroxy-10-(3-hydroxybutanoyl)-2,2-dimethyl-8-oxo-6-propyl-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190819
ChEBI Name3,4,5-trihydroxy-6-{[3-hydroxy-10-(3-hydroxybutanoyl)-2,2-dimethyl-8-oxo-6-propyl-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O13
Net Charge0
Average Mass566.556
Monoisotopic Mass566.19994
SMILESCCCc1cc(=O)oc2c(C(=O)CC(C)O)c3c(c(OC4OC(C(=O)O)C(O)C(O)C4O)c12)CC(O)C(C)(C)O3
InChIInChI=1S/C27H34O13/c1-5-6-11-8-15(31)37-23-16(11)21(38-26-20(34)18(32)19(33)24(39-26)25(35)36)12-9-14(30)27(3,4)40-22(12)17(23)13(29)7-10(2)28/h8,10,14,18-20,24,26,28,30,32-34H,5-7,9H2,1-4H3,(H,35,36)
InChIKeyWZZSRUOJUFVYND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-hydroxy-10-(3-hydroxybutanoyl)-2,2-dimethyl-8-oxo-6-propyl-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:190819) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[[3-hydroxy-10-(3-hydroxybutanoyl)-2,2-dimethyl-8-oxo-6-propyl-3,4-dihydropyrano[3,2-g]chromen-5-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130106HMDB