CHEBI:168521 - 5-Hydroxy-7,8,2',3'-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-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside
ChEBI ID CHEBI:168521
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H28O12
Net Charge 0
Average Mass 520.487
Monoisotopic Mass 520.15808
InChI InChI=1S/C25H28O12/c1-31-13-7-5-6-11(22(13)33-3)14-8-12(27)18-15(9-16(32-2)23(34-4)24(18)35-14)36-25-21(30)20(29)19(28)17(10-26)37-25/h5-9,17,19-21,25-26,28-30H,10H2,1-4H3/t17?,19-,20+,21?,25-/m1/s1
InChIKey PPQXLPYIRAWACL-LCSFZOAFSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=C(OC)C(OC)=CC=C4)C(OC)=C(OC)C2)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-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside (CHEBI:168521) is a flavonoids (CHEBI:72544)
5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside (CHEBI:168521) is a glycoside (CHEBI:24400)
IUPAC Name
2-(2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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24844182 ChemSpider
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