Digicitrin (CHEBI:196629)

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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	Digicitrin

ChEBI ID	CHEBI:196629

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O10

Net Charge

Average Mass

434.397

Monoisotopic Mass

434.12130

InChI

InChI=1S/C21H22O10/c1-25-11-8-9(7-10(22)16(11)26-2)15-18(27-3)13(23)12-14(24)19(28-4)21(30-6)20(29-5)17(12)31-15/h7-8,22,24H,1-6H3

InChIKey

GIEYELPGDHOPHM-UHFFFAOYSA-N

SMILES

O1C=2C(C(=O)C(OC)=C1C=3C=C(OC)C(OC)=C(O)C3)=C(O)C(OC)=C(OC)C2OC

ChEBI Ontology
Outgoing	Digicitrin (CHEBI:196629) is a ether (CHEBI:25698) Digicitrin (CHEBI:196629) is a flavonoids (CHEBI:72544)

IUPAC Name

5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one