EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193330 - (2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone

ChEBI IDCHEBI:193330
ChEBI Name(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O6
Net Charge0
Average Mass438.520
Monoisotopic Mass438.20424
SMILES[H][C@@]1(c2cc(C(C)(C)C=C)c(O)cc2OC)CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1
InChIInChI=1S/C26H30O6/c1-7-26(4,5)17-10-16(22(31-6)12-19(17)28)23-13-21(30)24-20(29)11-18(27)15(25(24)32-23)9-8-14(2)3/h7-8,10-12,23,27-29H,1,9,13H2,2-6H3/t23-/m0/s1
InChIKeyYIMXACQKSLBLPF-QHCPKHFHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone (CHEBI:193330) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-5,7-dihydroxy-2-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140494LIPID MAPS
8653698ChemSpider