Isoangustone A (CHEBI:175387)

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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	Isoangustone A

ChEBI ID	CHEBI:175387

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H26O6

Net Charge

Average Mass

422.477

Monoisotopic Mass

422.17294

InChI

InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3

InChIKey

QNLGNISMYMFVHP-UHFFFAOYSA-N

SMILES

O1C2=C(C(O)=C(CC=C(C)C)C(O)=C2)C(=O)C(C3=CC(CC=C(C)C)=C(O)C(O)=C3)=C1

ChEBI Ontology
Outgoing	Isoangustone A (CHEBI:175387) is a isoflavanones (CHEBI:38741)

IUPAC Name

3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one