EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168307 - 6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside)

ChEBI IDCHEBI:168307
ChEBI Name6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O17
Net Charge0
Average Mass692.623
Monoisotopic Mass692.19525
SMILESCOc1c(O[C@@H]2O[C@@H](C)[C@H](O)C(OC(C)=O)C2O)cc2oc(-c3ccc(O)cc3)c(O[C@@H]3OC(C)[C@H](O)C(OC(C)=O)[C@@H]3O)c(=O)c2c1O
InChIInChI=1S/C32H36O17/c1-11-20(36)28(45-13(3)33)24(40)31(43-11)48-18-10-17-19(22(38)27(18)42-5)23(39)30(26(47-17)15-6-8-16(35)9-7-15)49-32-25(41)29(46-14(4)34)21(37)12(2)44-32/h6-12,20-21,24-25,28-29,31-32,35-38,40-41H,1-5H3/t11-,12?,20-,21-,24?,25-,28?,29?,31-,32-/m0/s1
InChIKeyOLDCKGQTUGLRNW-QMSKOXAYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside) (CHEBI:168307) is a flavonoids (CHEBI:72544)
6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside) (CHEBI:168307) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,5S,6S)-2-[3-[(2S,3S,5S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
Manual XrefsDatabases
24845460ChemSpider
LMPK12112845LIPID MAPS