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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

تئوگراندین دوم  

Type

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

charge

  • 0

formula

  • C21H18O16S

has_functional_parent

inchi

  • InChI=1S/C21H18O16S/c22-7-2-1-6(3-8(7)23)12-5-10(25)13-9(24)4-11(26)16(17(13)34-12)35-21-15(28)18(37-38(31,32)33)14(27)19(36-21)20(29)30/h1-5,14-15,18-19,21-24,26-28H,(H,29,30)(H,31,32,33)/t14-,15+,18-,19-,21+/m0/s1

inchikey

  • ZRZNGKWFMIBYEF-DLSLMLROSA-N

mass

  • 558.42300

monoisotopicmass

  • 558.03156

smiles

  • O[C@H]1[C@H](Oc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl 3-O-sulfo-beta-D-glucopyranosiduronic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66218

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