CHEBI:175198 - Italipyrone

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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 Italipyrone
ChEBI ID CHEBI:175198
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O7
Net Charge 0
Average Mass 400.427
Monoisotopic Mass 400.15220
InChI InChI=1S/C22H24O7/c1-6-15-10(4)18(24)14(22(27)29-15)7-12-19(25)17(11(5)23)20(26)13-8-16(9(2)3)28-21(12)13/h16,24-26H,2,6-8H2,1,3-5H3
InChIKey ZWZHMUVNNKKVBT-UHFFFAOYSA-N
SMILES O1C(CC=2C1=C(CC3=C(O)C(=C(OC3=O)CC)C)C(O)=C(C2O)C(=O)C)C(C)=C
ChEBI Ontology
Outgoing Italipyrone (CHEBI:175198) is a acetophenones (CHEBI:22187)
IUPAC Name
3-[(5-acetyl-4,6-dihydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzouran-7-yl)methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one