Crassichalcone (CHEBI:180263)

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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	Crassichalcone

ChEBI ID	CHEBI:180263

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O4

Net Charge

Average Mass

336.387

Monoisotopic Mass

336.13616

InChI

InChI=1S/C21H20O4/c1-13(2)17-11-15-18(25-17)12-19(24-3)20(21(15)23)16(22)10-9-14-7-5-4-6-8-14/h4-10,12,17,23H,1,11H2,2-3H3/b10-9+

InChIKey

VQIKMMPLZDAZMZ-MDZDMXLPSA-N

SMILES

O1C(CC=2C1=CC(OC)=C(C2O)C(=O)/C=C/C3=CC=CC=C3)C(C)=C

ChEBI Ontology
Outgoing	Crassichalcone (CHEBI:180263) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-1-(4-hydroxy-6-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-5-yl)-3-phenylprop-2-en-1-one