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Concept information

Preferred term

cassiaside c  

Type

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

charge

  • 0

formula

  • C27H32O15

inchi

  • InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3/t14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1

inchikey

  • GBGJNKYTLIUCMX-YUMVGKRXSA-N

mass

  • 596.538

monoisotopicmass

  • 596.17412

smiles

  • O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(=CC(OC)=C2)C=C4C(=C3O)C(OC(=C4)C)=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO

subset

  • 2_STAR

synonym EXACT

  • 10-hydroxy-7-methoxy-3-methyl-9-[(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]oxybenzo[g]isochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191460

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