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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Luteolin 7-(6''-malonylneohesperidoside)
ChEBI ID CHEBI:169167
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H32O18
Net Charge 0
Average Mass 680.568
Monoisotopic Mass 680.15886
InChI InChI=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
InChIKey UUKXVBWTTCUSCK-AGINHGFHSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O)[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24843718 ChemSpider
LMPK12110688 LIPID MAPS
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