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CHEBI:192943 - Kaempferol 3-(6G-malonylneohesperidoside)

ChEBI IDCHEBI:192943
ChEBI NameKaempferol 3-(6G-malonylneohesperidoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O18
Net Charge0
Average Mass680.568
Monoisotopic Mass680.15886
SMILESCC1O[C@@H](OC2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C30H32O18/c1-10-20(37)23(40)25(42)29(44-10)48-28-24(41)21(38)16(9-43-18(36)8-17(34)35)46-30(28)47-27-22(39)19-14(33)6-13(32)7-15(19)45-26(27)11-2-4-12(31)5-3-11/h2-7,10,16,20-21,23-25,28-33,37-38,40-42H,8-9H2,1H3,(H,34,35)/t10?,16?,20-,21+,23?,24-,25-,28?,29-,30-/m0/s1
InChIKeyJTOOPMHFLOLUPJ-FAUKXPETSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(6G-malonylneohesperidoside) (CHEBI:192943) is a flavonoids (CHEBI:72544)
Kaempferol 3-(6G-malonylneohesperidoside) (CHEBI:192943) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[[(3S,4S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
24844690ChemSpider
LMPK12111948LIPID MAPS