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CHEBI:191809 - Kaempferol 3-(6''-malonylglucoside)-7-glucoside

ChEBI IDCHEBI:191809
ChEBI NameKaempferol 3-(6''-malonylglucoside)-7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O19
Net Charge0
Average Mass696.567
Monoisotopic Mass696.15378
SMILESO=C(O)CC(=O)OCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C30H32O19/c31-8-15-20(37)23(40)25(42)29(47-15)45-12-5-13(33)19-14(6-12)46-27(10-1-3-11(32)4-2-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)9-44-18(36)7-17(34)35/h1-6,15-16,20-21,23-26,29-33,37-38,40-43H,7-9H2,(H,34,35)/t15?,16?,20-,21-,23+,24?,25?,26?,29-,30+/m1/s1
InChIKeyPSZBCORWZMVATQ-HNJIUSOOSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(6''-malonylglucoside)-7-glucoside (CHEBI:191809) is a flavonoids (CHEBI:72544)
Kaempferol 3-(6''-malonylglucoside)-7-glucoside (CHEBI:191809) is a glycoside (CHEBI:24400)
IUPAC Name 
3-oxo-3-[[(3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
24844550ChemSpider
LMPK12111806LIPID MAPS