CHEBI:186143 - Sophoradin

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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 Sophoradin
ChEBI ID CHEBI:186143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O4
Net Charge 0
Average Mass 460.614
Monoisotopic Mass 460.26136
InChI InChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+
InChIKey YAPAFDNQABLIIN-XNTDXEJSSA-N
SMILES OC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)/C=C/C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2
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 Sophoradin (CHEBI:186143) is a chalcones (CHEBI:23086)
IUPAC Name
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Manual Xrefs Databases
4479146 ChemSpider
LMPK12120050 LIPID MAPS
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