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Concept information

Preferred term

cassiaside b  

Type

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

charge

  • 0

formula

  • C26H30O14

inchi

  • InChI=1S/C26H30O14/c1-10-3-13(28)18-14(38-10)5-11-4-12(35-2)6-15(17(11)20(18)30)39-24-22(32)21(31)19(29)16(40-24)7-36-25-23(33)26(34,8-27)9-37-25/h3-6,16,19,21-25,27,29-34H,7-9H2,1-2H3/t16-,19-,21+,22-,23+,24-,25-,26-/m1/s1

inchikey

  • NIVCJAYDAMQSJO-PAMAHNMISA-N

mass

  • 566.512

monoisotopicmass

  • 566.16356

smiles

  • O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(=CC(OC)=C2)C=C4OC(=CC(=O)C4=C3O)C)CO[C@@H]5OC[C@@](O)([C@H]5O)CO

subset

  • 2_STAR

synonym EXACT

  • 6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197161

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