CHEBI:185796 - Spinochalcone B

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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 Spinochalcone B
ChEBI ID CHEBI:185796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O3
Net Charge 0
Average Mass 374.480
Monoisotopic Mass 374.18819
InChI InChI=1S/C25H26O3/c1-18(2)8-7-16-25(3)17-15-21-23(28-25)14-12-20(24(21)27)22(26)13-11-19-9-5-4-6-10-19/h4-6,8-15,17,27H,7,16H2,1-3H3/b13-11+
InChIKey XKBWBVSFQXIHLM-ACCUITESSA-N
SMILES O1C(CCC=C(C)C)(C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3)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 Spinochalcone B (CHEBI:185796) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
Manual Xrefs Databases
9756346 ChemSpider
LMPK12120015 LIPID MAPS
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