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CHEBI:3185 - broussin

ChEBI IDCHEBI:3185
ChEBI Namebroussin
Stars
DefinitionA hydroxyflavan that is (2S)-flavan substituted by a hydroxy group at position 7 and a methoxy group at position 4'.
Last Modified4 June 2015
DownloadsMolfile
FormulaC16H16O3
Net Charge0
Average Mass256.301
Monoisotopic Mass256.10994
SMILESCOc1ccc([C@@H]2CCc3ccc(O)cc3O2)cc1
InChIInChI=1S/C16H16O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1
InChIKeyJTPMXGZHRQYFTB-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Dracaena cochinchinensis (ncbitaxon:593754) - PubMed (12016928)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
broussin (CHEBI:3185) has functional parent (2S)-flavan (CHEBI:36103)
broussin (CHEBI:3185) has role plant metabolite (CHEBI:76924)
broussin (CHEBI:3185) is a hydroxyflavan (CHEBI:72010)
broussin (CHEBI:3185) is a methoxyflavan (CHEBI:72585)
IUPAC Name 
(2S)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonym  Source
7-Hydroxy-4'-methoxyflavanKEGG COMPOUND
Manual XrefsDatabases
C09505KEGG COMPOUND
C00000943KNApSAcK
LMPK12020232LIPID MAPS
Registry NumbersSources
Reaxys:5070640Reaxys
CAS:76045-50-6KEGG COMPOUND
Citations