CHEBI:185708 - Hydroxysophoranone

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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 Hydroxysophoranone
ChEBI ID CHEBI:185708
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O5
Net Charge 0
Average Mass 476.613
Monoisotopic Mass 476.25627
InChI InChI=1S/C30H36O5/c1-17(2)7-10-20-13-22(14-21(29(20)34)11-8-18(3)4)27-16-26(33)28-25(32)15-24(31)23(30(28)35-27)12-9-19(5)6/h7-9,13-15,27,31-32,34H,10-12,16H2,1-6H3
InChIKey ABQFAJSGVWQVGF-UHFFFAOYSA-N
SMILES O1C(CC(=O)C=2C1=C(CC=C(C)C)C(O)=CC2O)C3=CC(=C(O)C(=C3)CC=C(C)C)CC=C(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 Hydroxysophoranone (CHEBI:185708) is a flavanones (CHEBI:28863)
IUPAC Name
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual Xrefs Databases
24846385 ChemSpider
LMPK12140282 LIPID MAPS
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