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trans-diptoindonesin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM161763

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₂H₃₂O₉

charge

mass

680.20463

reference

chebi:76196

InChIKey

BDJSWDYSJPVUJA-DVYDPXLZSA-N

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

SMILES

Oc1ccc([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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76196 chebi:76196	trans-diptoindonesin B 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