EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:76196 - trans-diptoindonesin B

ChEBI IDCHEBI:76196
ChEBI Nametrans-diptoindonesin B
Stars
ASCII Nametrans-diptoindonesin B
DefinitionA benzofuran-derived stilbenoid that is a homotrimer obtained by cyclotrimerisation of resveratrol. It is isolated from Dryobalanops oblongifolia.
Last Modified19 February 2014
Submittermwilliams
DownloadsMolfile
FormulaC42H32O9
Net Charge0
Average Mass680.709
Monoisotopic Mass680.20463
SMILESOc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C42H32O9/c43-27-8-4-24(5-9-27)41-38(26-16-31(47)19-32(48)17-26)40-35(20-33(49)21-37(40)51-41)39-34-15-22(1-2-23-13-29(45)18-30(46)14-23)3-12-36(34)50-42(39)25-6-10-28(44)11-7-25/h1-21,38-39,41-49H/b2-1+/t38-,39+,41+,42+/m0/s1
InChIKeyBDJSWDYSJPVUJA-DVYDPXLZSA-N
Wikipedia
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)
trans-diptoindonesin B (CHEBI:76196) has functional parent trans-resveratrol (CHEBI:45713)
trans-diptoindonesin B (CHEBI:76196) has role plant metabolite (CHEBI:76924)
trans-diptoindonesin B (CHEBI:76196) is a 1-benzofurans (CHEBI:38830)
trans-diptoindonesin B (CHEBI:76196) is a polyphenol (CHEBI:26195)
trans-diptoindonesin B (CHEBI:76196) is a stilbenoid (CHEBI:26776)
IUPAC Name 
5-[(2S,2'S,3S,3'S)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-3'-yl]benzene-1,3-diol
Manual XrefsDatabases
Trans-Diptoindonesin_BWikipedia
Citations