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CHEBI:190814 - 3,4,5-trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:190814
ChEBI Name3,4,5-trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O16
Net Charge0
Average Mass612.537
Monoisotopic Mass612.16903
SMILESO=C(CCc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1)c1c(O)cc(O)c(C2OC(CO)C(O)C(O)C2O)c1O
InChIInChI=1S/C27H32O16/c28-8-14-17(32)19(34)21(36)24(42-14)16-13(31)7-12(30)15(18(16)33)11(29)5-4-9-2-1-3-10(6-9)41-27-23(38)20(35)22(37)25(43-27)26(39)40/h1-3,6-7,14,17,19-25,27-28,30-38H,4-5,8H2,(H,39,40)
InChIKeyJUXSLXYIQUQDGD-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-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid (CHEBI:190814) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid (CHEBI:190814) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[3-[3-oxo-3-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132683HMDB