EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192860 - 6,8-Dihydroxykaempferol 3-rutinoside

Default Structure
ChEBI IDCHEBI:192860
ChEBI Name6,8-Dihydroxykaempferol 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O17
Net Charge0
Average Mass626.520
Monoisotopic Mass626.14830
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4c(O)c(O)c(O)c(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O17/c1-7-12(29)16(33)21(38)26(41-7)40-6-10-13(30)17(34)22(39)27(42-10)44-25-15(32)11-14(31)18(35)19(36)20(37)24(11)43-23(25)8-2-4-9(28)5-3-8/h2-5,7,10,12-13,16-17,21-22,26-31,33-39H,6H2,1H3/t7?,10?,12-,13+,16-,17?,21?,22?,26+,27-/m0/s1
InChIKeyQYGOLDXOFKERFE-HPFJSUSKSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
6,8-Dihydroxykaempferol 3-rutinoside (CHEBI:192860) is a flavonoids (CHEBI:72544)
6,8-Dihydroxykaempferol 3-rutinoside (CHEBI:192860) is a glycoside (CHEBI:24400)
IUPAC Name 
5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845799ChemSpider
LMPK12113300LIPID MAPS