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CHEBI:188341 - Kaempferide 3-rhamnoside-7-(6''-succinylglucoside)

ChEBI IDCHEBI:188341
ChEBI NameKaempferide 3-rhamnoside-7-(6''-succinylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O18
Net Charge0
Average Mass708.622
Monoisotopic Mass708.19016
SMILESCOc1ccc(-c2oc3cc(O[C@@H]4OC(COC(=O)CCC(=O)O)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
InChIInChI=1S/C32H36O18/c1-12-22(37)25(40)27(42)31(46-12)50-30-24(39)21-16(33)9-15(10-17(21)48-29(30)13-3-5-14(44-2)6-4-13)47-32-28(43)26(41)23(38)18(49-32)11-45-20(36)8-7-19(34)35/h3-6,9-10,12,18,22-23,25-28,31-33,37-38,40-43H,7-8,11H2,1-2H3,(H,34,35)/t12?,18?,22-,23+,25?,26-,27-,28?,31-,32+/m0/s1
InChIKeyUSWCJNJGZZXFFW-UULYZMBJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Kaempferide 3-rhamnoside-7-(6''-succinylglucoside) (CHEBI:188341) is a flavonoids (CHEBI:72544)
Kaempferide 3-rhamnoside-7-(6''-succinylglucoside) (CHEBI:188341) is a glycoside (CHEBI:24400)
IUPAC Name 
4-oxo-4-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxan-2-yl]methoxy]butanoic acid
Manual XrefsDatabases
24843594ChemSpider
LMPK12110556LIPID MAPS