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CHEBI:76196 - trans-diptoindonesin B

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ChEBI Name trans-diptoindonesin B
ChEBI ID CHEBI:76196
ChEBI ASCII Name trans-diptoindonesin B
Definition A benzofuran-derived stilbenoid that is a homotrimer obtained by cyclotrimerisation of resveratrol. It is isolated from Dryobalanops oblongifolia.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C42H32O9
Net Charge 0
Average Mass 680.69810
Monoisotopic Mass 680.205
InChI InChI=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
InChIKey BDJSWDYSJPVUJA-DVYDPXLZSA-N
SMILES Oc1ccc(cc1)[C@H]1Oc2cc(O)cc([C@@H]3[C@H](Oc4ccc(\C=C\c5cc(O)cc(O)c5)cc34)c3ccc(O)cc3)c2[C@@H]1c1cc(O)cc(O)c1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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
Database Link Database
Trans-Diptoindonesin_B Wikipedia
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Citation Waiting for Citations Type Source
12895539 PubMed citation Europe PMC
Last Modified
19 February 2014