5-O-Demethylapulein (CHEBI:196375)

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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-O-Demethylapulein

ChEBI ID	CHEBI:196375

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H18O9

Net Charge

Average Mass

390.344

Monoisotopic Mass

390.09508

InChI

InChI=1S/C19H18O9/c1-24-11-6-9(20)8(5-10(11)21)17-19(27-4)16(23)14-12(28-17)7-13(25-2)18(26-3)15(14)22/h5-7,20-22H,1-4H3

InChIKey

KMDMMDZJQFJXCU-UHFFFAOYSA-N

SMILES

O1C=2C(C(=O)C(OC)=C1C=3C(O)=CC(OC)=C(O)C3)=C(O)C(OC)=C(OC)C2

ChEBI Ontology
Outgoing	5-O-Demethylapulein (CHEBI:196375) is a ether (CHEBI:25698) 5-O-Demethylapulein (CHEBI:196375) is a flavonoids (CHEBI:72544)

IUPAC Name

2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one