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Concept information

Preferred term

Acacetin 7 (4'''' Acetylrhamnosyl) (1 > 6) glucosyl (1 >3) (6'' acetylrhamnosyl)  

Type

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

charge

  • 0

formula

  • C38H46O21

inchi

  • InChI=1S/C38H46O21/c1-14-34(54-16(3)40)30(46)32(48)36(53-14)52-13-24-27(43)29(45)31(47)37(57-24)59-35-28(44)25(12-51-15(2)39)58-38(33(35)49)55-19-9-20(41)26-21(42)11-22(56-23(26)10-19)17-5-7-18(50-4)8-6-17/h5-11,14,24-25,27-38,41,43-49H,12-13H2,1-4H3/t14?,24?,25?,27-,28-,29+,30?,31?,32+,33?,34+,35+,36-,37+,38-/m1/s1

inchikey

  • LUNOGRDZPAZLBH-WGJUDOFESA-N

mass

  • 838.765

monoisotopicmass

  • 838.25316

smiles

  • O([C@H]1[C@H](O)C(O[C@@H](OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)C1O)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO[C@@H]6OC([C@H](OC(=O)C)C(O)[C@@H]6O)C

subset

  • 2_STAR

synonym EXACT

  • [(3R,4S,6S)-4-[(2S,4S,5S)-6-[[(2R,3S,5R)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185414

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