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CHEBI:88362 - 7-hydroxysecoisolariciresinol

ChEBI IDCHEBI:88362
ChEBI Name7-hydroxysecoisolariciresinol
Stars
DefinitionA polyphenol that is (−)-secoisolariciresinol carrying an additional hydroxy substituent at position 7.
Last Modified8 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H26O7
Net Charge0
Average Mass378.421
Monoisotopic Mass378.16785
SMILESCOc1cc(C[C@@H](CO)[C@H](CO)C(O)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1
InChIKeyVPDBTIFHPUYJJJ-HGUAOMBGSA-N
Species of MetaboliteComponentSourceComments
Phyllanthus niruri (ncbitaxon:296034) - MetaboLights (MTBLS224)
ChEBI Ontology
Outgoing Relation(s)
7-hydroxysecoisolariciresinol (CHEBI:88362) has functional parent (−)-secoisolariciresinol (CHEBI:65004)
7-hydroxysecoisolariciresinol (CHEBI:88362) is a lignan (CHEBI:25036)
7-hydroxysecoisolariciresinol (CHEBI:88362) is a methoxybenzenes (CHEBI:51683)
7-hydroxysecoisolariciresinol (CHEBI:88362) is a polyphenol (CHEBI:26195)
7-hydroxysecoisolariciresinol (CHEBI:88362) is a triol (CHEBI:27136)
IUPAC Name 
(2R,3R)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butane-1,4-diol
Registry NumbersSources
Reaxys:9225754Reaxys