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Concept information

Preferred term

xanthorin 8-o-beta-d-gentiobioside  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32O16

inchi

  • InChI=1S/C28H32O16/c1-8-3-9-15(10(30)4-8)22(35)16-11(5-12(40-2)19(32)17(16)18(9)31)42-28-26(39)24(37)21(34)14(44-28)7-41-27-25(38)23(36)20(33)13(6-29)43-27/h3-5,13-14,20-21,23-30,32-34,36-39H,6-7H2,1-2H3/t13-,14-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1

inchikey

  • VYNRRWAXYMAKIF-RSGKIRSSSA-N

mass

  • 624.548

monoisotopicmass

  • 624.16903

smiles

  • O=C1C2=C(C(=O)C=3C1=C(O)C=C(C)C3)C(O)=C(OC)C=C2O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO

subset

  • 2_STAR

synonym EXACT

  • 1,5-dihydroxy-2-methoxy-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215985

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