CHEBI:169248 - 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside

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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 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside
ChEBI ID CHEBI:169248
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O14
Net Charge 0
Average Mass 552.485
Monoisotopic Mass 552.14791
InChI InChI=1S/C25H28O14/c1-33-11-6-10(27)9(5-12(11)38-25-21(32)20(31)17(28)15(8-26)39-25)22-24(36-4)19(30)16-13(37-22)7-14(34-2)23(35-3)18(16)29/h5-7,15,17,20-21,25-29,31-32H,8H2,1-4H3/t15?,17-,20?,21?,25-/m1/s1
InChIKey HQQLCBLQXGBFFF-IKFVAXRFSA-N
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C(C(O)=CC2OC)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)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 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside (CHEBI:169248) is a flavonoids (CHEBI:72544)
5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside (CHEBI:169248) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-[2-hydroxy-4-methoxy-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,6,7-trimethoxychromen-4-one
Manual Xrefs Databases
24845605 ChemSpider
LMPK12113043 LIPID MAPS
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