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CHEBI:169167 - Luteolin 7-(6''-malonylneohesperidoside)

ChEBI IDCHEBI:169167
ChEBI NameLuteolin 7-(6''-malonylneohesperidoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O18
Net Charge0
Average Mass680.568
Monoisotopic Mass680.15886
SMILESCC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C30H32O18/c1-10-23(38)25(40)27(42)29(44-10)48-28-26(41)24(39)19(9-43-21(37)8-20(35)36)47-30(28)45-12-5-15(33)22-16(34)7-17(46-18(22)6-12)11-2-3-13(31)14(32)4-11/h2-7,10,19,23-33,38-42H,8-9H2,1H3,(H,35,36)/t10?,19?,23-,24+,25-,26-,27?,28?,29-,30+/m0/s1
InChIKeyUUKXVBWTTCUSCK-AGINHGFHSA-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)
Luteolin 7-(6''-malonylneohesperidoside) (CHEBI:169167) is a flavonoids (CHEBI:72544)
Luteolin 7-(6''-malonylneohesperidoside) (CHEBI:169167) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
LMPK12110688LIPID MAPS
24843718ChemSpider