CHEBI:185639 - Kukulkanin A

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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 Kukulkanin A
ChEBI ID CHEBI:185639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H16O5
Net Charge 0
Average Mass 300.310
Monoisotopic Mass 300.09977
InChI InChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-9-14(18)13-8-10-15(19)17(22-2)16(13)20/h3-10,19-20H,1-2H3/b9-5+
InChIKey VSQPLPYTWAWJLY-WEVVVXLNSA-N
SMILES O(C=1C(O)=C(C=CC1O)C(=O)/C=C/C2=CC=C(OC)C=C2)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Kukulkanin A (CHEBI:185639) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Manual Xrefs Databases
4943615 ChemSpider
LMPK12120153 LIPID MAPS
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Registry Number Type Source
124704-82-1 CAS Registry Number ChemIDplus