- 3 of 5 defined stereocentres
(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(sulfooxy)-4H-chromen-8-yl]-D-threo-hexitol
c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)OS(=O)(=O)O)O)O)O
InChI=1S/C21H20O14S/c22-6-14-17(27)18(28)19(29)21(34-14)16-13(35-36(30,31)32)5-11(26)15-10(25)4-12(33-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-24,26-29H,6H2,(H,30,31,32)/t14?,17-,18+,19?,21+/m1/s1
LPBOXONDWRTDPQ-SZSUEBNWSA-N
CSID:24843570, http://www.chemspider.com/Chemical-Structure.24843570.html (accessed 07:33, Mar 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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