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Concept information

Preferred term

پئونیدین 3 گلوکوزید 5 (6 اینچ استیل گلوکوزید)  

Type

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

charge

  • +1

formula

  • C30H35O17

inchi

  • InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20?,21?,22-,23-,24+,25+,26?,27?,29-,30-/m1/s1

inchikey

  • VVZKXWGDULSESF-QXQVUWIBSA-O

mass

  • 667.592

monoisotopicmass

  • 667.18688

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=CC(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C([O+]=C3C=C(O)C2)C5=CC(OC)=C(O)C=C5)COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methyl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188136

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