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5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

ChemSpider ID: 21522640
Molecular Formula: C₂₁H₂₀O₁₀
Average mass: 432.377991 Da
Monoisotopic mass: 432.105988 Da
Systematic name

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
SMILES and InChIs

SMILES:

c1cc(ccc1c2coc3cc(cc(c3c2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O Copied

Std. InChI:

InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15?,18-,19-,20?,21-/m1/s1 Copied

Std. InChIKey:

ZCOLJUOHXJRHDI-LHFJZMKJSA-N Copied
Cite this record
CSID:21522640, http://www.chemspider.com/Chemical-Structure.21522640.html (accessed 18:46, May 19, 2013) Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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