EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190025 - Kuwanon L

ChEBI IDCHEBI:190025
ChEBI NameKuwanon L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H30O11
Net Charge0
Average Mass626.614
Monoisotopic Mass626.17881
SMILES[H][C@@]1(c2ccc(O)cc2O)CC(C)=C[C@]([H])(c2c(O)ccc([C@]3([H])CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H]1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29-,31-/m0/s1
InChIKeyZEZOBFSLMMTYFF-HQSFFLIMSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Kuwanon L (CHEBI:190025) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
160728ChemSpider
Registry NumbersSources
CAS:88524-65-6ChemIDplus