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Concept information

Preferred term

'  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H18O17S

inchi

  • InChI=1S/C20H18O17S/c21-6-1-4-9(14(26)11(6)23)10-5(2-7(22)12(24)15(10)27)19(29)36-16-13(25)8(3-34-18(4)28)35-20(30)17(16)37-38(31,32)33/h1-2,8,13,16-17,20-27,30H,3H2,(H,31,32,33)

inchikey

  • VPXHQYPJRPQWFE-UHFFFAOYSA-N

mass

  • 562.410

monoisotopicmass

  • 562.02647

smiles

  • S(OC1C2OC(=O)C=3C(C=4C(C(OCC(OC1O)C2O)=O)=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • (6,7,8,11,12,13,21,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl) hydrogen sulate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169500

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