CHEBI:169819 - 5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside

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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 5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside
ChEBI ID CHEBI:169819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H38O18
Net Charge 0
Average Mass 698.627
Monoisotopic Mass 698.20581
InChI InChI=1S/C31H38O18/c1-41-12-7-5-11(6-8-12)23-26(42-2)18(36)15-19(37)27(43-3)29(28(44-4)24(15)47-23)49-31-22(40)25(17(35)14(10-33)46-31)48-30-21(39)20(38)16(34)13(9-32)45-30/h5-8,13-14,16-17,20-22,25,30-35,37-40H,9-10H2,1-4H3/t13?,14?,16-,17+,20+,21?,22?,25+,30+,31+/m1/s1
InChIKey CPQQGBFDSMDQET-JNWUDHPISA-N
SMILES O([C@H]1[C@@H](O)C(O[C@@H](OC=2C(OC)=C3OC(=C(OC)C(=O)C3=C(O)C2OC)C4=CC=C(OC)C=C4)C1O)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
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 5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside (CHEBI:169819) is a flavonoids (CHEBI:72544)
5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside (CHEBI:169819) is a glycoside (CHEBI:24400)
IUPAC Name
7-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Manual Xrefs Databases
24845801 ChemSpider
LMPK12113302 LIPID MAPS
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