CHEBI:187700 - Paratocarpin B

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ChEBI Name Paratocarpin B
ChEBI ID CHEBI:187700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H26O4
Net Charge 0
Average Mass 390.479
Monoisotopic Mass 390.18311
InChI InChI=1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+
InChIKey WRNYEZGVIHDIGH-YRNVUSSQSA-N
SMILES O1C(C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC(CC=C(C)C)=C(O)C=C3)(C)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 Paratocarpin B (CHEBI:187700) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Manual Xrefs Databases
24845888 ChemSpider
LMPK12120091 LIPID MAPS
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Registry Number Type Source
161099-57-6 CAS Registry Number ChemIDplus