CHEBI:185821 - Calomelanol C

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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 Calomelanol C
ChEBI ID CHEBI:185821
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000064512333
Download Molfile XML SDF
Formula C24H20O6
Net Charge 0
Average Mass 404.418
Monoisotopic Mass 404.12599
InChI InChI=1S/C24H20O6/c25-16-9-7-15(8-10-16)17-12-21(29)30-24-22(17)19(27)13-20(28)23(24)18(26)11-6-14-4-2-1-3-5-14/h1-5,7-10,13,17,25,27-28H,6,11-12H2
InChIKey LEHQNGMIHPACJG-UHFFFAOYSA-N
SMILES O1C2=C(C(CC1=O)C3=CC=C(O)C=C3)C(O)=CC(O)=C2C(=O)CCC4=CC=CC=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing Calomelanol C (CHEBI:185821) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
5,7-dihydroxy-4-(4-hydroxyphenyl)-8-(3-phenylpropanoyl)-3,4-dihydrochromen-2-one
Manual Xrefs Databases
9179176 ChemSpider
LMPK12120496 LIPID MAPS
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