skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > acenoquinone > anthraquinone > 8-o-beta-d-gentiobioside of xanthorin 1-o-methyl ether

Preferred term

8-o-beta-d-gentiobioside of xanthorin 1-o-methyl ether  

Type

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

Broader concept

charge

  • 0

formula

  • C29H34O16

inchi

  • InChI=1S/C29H34O16/c1-9-4-10-16(11(5-9)40-2)23(35)17-12(6-13(41-3)20(32)18(17)19(10)31)43-29-27(39)25(37)22(34)15(45-29)8-42-28-26(38)24(36)21(33)14(7-30)44-28/h4-6,14-15,21-22,24-30,32-34,36-39H,7-8H2,1-3H3/t14-,15-,21-,22-,24+,25+,26-,27-,28-,29-/m1/s1

inchikey

  • OFCAQTJEYSFBJR-PIEUONJDSA-N

mass

  • 638.575

monoisotopicmass

  • 638.18469

smiles

  • O=C1C2=C(C(=O)C=3C1=C(OC)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-hydroxy-2,5-dimethoxy-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:213911

Download this concept: