Pratensin B (CHEBI:168318)

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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	Pratensin B

ChEBI ID	CHEBI:168318

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H24O9

Net Charge

Average Mass

444.436

Monoisotopic Mass

444.14203

InChI

InChI=1S/C23H24O9/c1-6-11(2)23(27)32-22-18-14(16(26)20(29-4)21(22)30-5)15(25)19(28-3)17(31-18)12-7-9-13(24)10-8-12/h7-11,24,26H,6H2,1-5H3

InChIKey

HGOSLBASTAAYFT-UHFFFAOYSA-N

SMILES

O1C=2C(=C(O)C(OC)=C(OC)C2OC(=O)C(CC)C)C(=O)C(OC)=C1C3=CC=C(O)C=C3

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	Pratensin B (CHEBI:168318) is a ether (CHEBI:25698) Pratensin B (CHEBI:168318) is a flavonoids (CHEBI:72544)

IUPAC Name

[5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-oxochromen-8-yl] 2-methylbutanoate