EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193255 - Broussoflavan A

ChEBI IDCHEBI:193255
ChEBI NameBroussoflavan A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O6
Net Charge0
Average Mass426.509
Monoisotopic Mass426.20424
SMILES[H][C@@]1(c2cc3c(c(O)c2CC=C(C)C)OC(C)(C)C(O)C3O)CCc2ccc(O)cc2O1
InChIInChI=1S/C25H30O6/c1-13(2)5-9-16-17(19-10-7-14-6-8-15(26)11-20(14)30-19)12-18-22(28)24(29)25(3,4)31-23(18)21(16)27/h5-6,8,11-12,19,22,24,26-29H,7,9-10H2,1-4H3/t19-,22?,24?/m0/s1
InChIKeyYJRPYTOREHMPPM-HRRASNIPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Broussoflavan A (CHEBI:193255) is a flavans (CHEBI:38672)
IUPAC Name 
6-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,4,8-triol
Manual XrefsDatabases
23339604ChemSpider
LMPK12020243LIPID MAPS