Abruquinone C (CHEBI:169313)

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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	Abruquinone C

ChEBI ID	CHEBI:169313

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H20O8

Net Charge

Average Mass

376.361

Monoisotopic Mass

376.11582

InChI

InChI=1S/C19H20O8/c1-23-16-13(21)7-11(14(22)18(16)25-3)10-5-9-6-12(20)17(24-2)19(26-4)15(9)27-8-10/h6-7,10,20H,5,8H2,1-4H3

InChIKey

JUJPNIDLVJQYEY-UHFFFAOYSA-N

SMILES

O1CC(CC=2C1=C(OC)C(OC)=C(O)C2)C=3C(=O)C(OC)=C(OC)C(=O)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	Abruquinone C (CHEBI:169313) is a isoflavonoid (CHEBI:50753)

IUPAC Name

5-(6-hydroxy-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione